N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]methanamide

Systemtic Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]methanamide Openeye Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide CAS Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide IUPAC Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide Traditional Name: N-[(7S)-3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC=O)O

Isomeric SMILES

COC1=C(C=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC=O)O

InChI

InChI=1S/C20H21NO5S/c1-25-19-16(24)8-11-4-6-14(21-10-22)13-9-15(23)17(27-3)7-5-12(13)18(11)20(19)26-2/h5,7-10,14,24H,4,6H2,1-3H3,(H,21,22)/t14-/m0/s1