AB74985
34580-14-8 | (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
Manufacturer: A2B Chem
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CatalogNumber
AB74985
ChemicalName
(2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
CasNumber
34580-14-8
MolecularFormula
C23H23NO5S
MolecularWeight
425.4974199999999
MdlNumber
MFCD00079394
Smiles
CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1.OC(=O)C=CC(=O)O
NscNumber
757415
Complexity
595
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
