O-ethyl [(7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-4-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-4-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl]sulfanylmethanethioate CAS Name: [[(7S)-7-acetamido-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl]sulfanylmethanethioate Traditional Name: [[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-4-yl]thio]methanethioic acid O-ethyl ester Formula: C25H29NO6S3 MolecularWeight: 535.69586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C(C(=C(C2=C1CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC)OC

Isomeric SMILES

CCOC(=S)SC1=C(C(=C(C2=C1CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC)OC

InChI

InChI=1S/C25H29NO6S3/c1-7-32-25(33)35-24-15-8-10-17(26-13(2)27)16-12-18(28)19(34-6)11-9-14(16)20(15)21(29-3)22(30-4)23(24)31-5/h9,11-12,17H,7-8,10H2,1-6H3,(H,26,27)/t17-/m0/s1