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

Systemtic Name: (7-acetamido-1-acetyloxy-3-methoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl) ethanoate Openeye Name: (7-acetamido-1-acetoxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) acetate CAS Name: acetic acid [7-acetamido-1-acetyloxy-3-methoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: (7-acetamido-1-acetyloxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) acetate Traditional Name: acetic acid [7-acetamido-1-acetoxy-9-keto-3-methoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C24H25NO7S MolecularWeight: 471.5228

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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)C)OC(=O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO7S/c1-12(26)25-18-8-6-15-10-20(30-4)23(31-13(2)27)24(32-14(3)28)22(15)16-7-9-21(33-5)19(29)11-17(16)18/h7,9-11,18H,6,8H2,1-5H3,(H,25,26)