[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

InChI

InChI=1S/C21H24N2O4S/c1-12-7-6-9-16(13(12)2)23-18(25)11-27-21(26)19-15-8-4-5-10-17(15)28-20(19)22-14(3)24/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,22,24)(H,23,25)