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

Systemtic Name: (7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl) methanoate Openeye Name: (7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) formate CAS Name: formic acid [7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: (7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) formate Traditional Name: formic acid [7-acetamido-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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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)OC=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S/c1-12(25)23-16-7-5-13-9-18(27-2)21(29-11-24)22(28-3)20(13)14-6-8-19(30-4)17(26)10-15(14)16/h6,8-11,16H,5,7H2,1-4H3,(H,23,25)