[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C

InChI

InChI=1S/C21H19NO4S/c1-13-17-5-3-4-6-19(17)27-20(13)21(25)26-12-18(24)16-9-7-15(8-10-16)11-22-14(2)23/h3-10H,11-12H2,1-2H3,(H,22,23)