chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylate

Systemtic Name: chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylate Openeye Name: chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylate CAS Name: (7S)-7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylic acid chloromethyl ester IUPAC Name: chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylate Traditional Name: (7S)-7-acetamido-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylic acid chloromethyl ester Formula: C23H24ClNO6S MolecularWeight: 477.95776

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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)C(=O)OCCl)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)C(=O)OCCl)OC

InChI

InChI=1S/C23H24ClNO6S/c1-12(26)25-16-7-5-13-9-18(29-2)21(23(28)31-11-24)22(30-3)20(13)14-6-8-19(32-4)17(27)10-15(14)16/h6,8-10,16H,5,7,11H2,1-4H3,(H,25,26)/t16-/m0/s1