[7-acetamido-3-methoxy-10-methylsulfanyl-9-oxidanylidene-1-(phenylcarbonyloxy)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] benzoate

Systemtic Name: [7-acetamido-3-methoxy-10-methylsulfanyl-9-oxidanylidene-1-(phenylcarbonyloxy)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] benzoate Openeye Name: (7-acetamido-1-benzoyloxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) benzoate CAS Name: benzoic acid [7-acetamido-1-benzoyloxy-3-methoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: (7-acetamido-1-benzoyloxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) benzoate Traditional Name: benzoic acid [7-acetamido-1-benzoyloxy-9-keto-3-methoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C34H29NO7S MolecularWeight: 595.66156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C34H29NO7S/c1-20(36)35-26-16-14-23-18-28(40-2)31(41-33(38)21-10-6-4-7-11-21)32(42-34(39)22-12-8-5-9-13-22)30(23)24-15-17-29(43-3)27(37)19-25(24)26/h4-13,15,17-19,26H,14,16H2,1-3H3,(H,35,36)