3-oxidanyl-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Systemtic Name: 3-oxidanyl-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: 3-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide CAS Name: 3-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 3-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Traditional Name: 3-hydroxy-N-[(7S)-9-keto-2,3,4-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCC(C3=CC(=O)C(=CC=C3C2=C1)SC)NC(=O)C4=CC(=CC=C4)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1)SC)NC(=O)C4=CC(=CC=C4)O)OC)OC

InChI

InChI=1S/C27H27NO6S/c1-32-23-14-19-17-9-11-24(35-4)22(30)13-20(17)21(10-8-18(19)25(33-2)26(23)34-3)28-27(31)15-6-5-7-16(29)12-15/h5-7,9,11-14,21,29H,8,10H2,1-4H3,(H,28,31)/t21-/m0/s1