[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C21H23NO4S2/c1-12-4-6-15-16(11-28-20(15)8-12)21(25)26-10-18(24)14-5-7-19(27-3)17(9-14)22-13(2)23/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,22,23)/t12-/m1/s1