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

Systemtic Name: 2-oxidanyl-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: 2-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide CAS Name: 2-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 2-hydroxy-N-[(7S)-2,3,4-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Traditional Name: 2-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=C4O)OC)OC

Isomeric SMILES

COC1=C(C(=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1)SC)NC(=O)C4=CC=CC=C4O)OC)OC

InChI

InChI=1S/C27H27NO6S/c1-32-23-14-18-15-10-12-24(35-4)22(30)13-19(15)20(11-9-16(18)25(33-2)26(23)34-3)28-27(31)17-7-5-6-8-21(17)29/h5-8,10,12-14,20,29H,9,11H2,1-4H3,(H,28,31)/t20-/m0/s1