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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-12-8-13(2)10-15(9-12)23-18(25)11-27-21(26)19-16-6-4-5-7-17(16)28-20(19)22-14(3)24/h8-10H,4-7,11H2,1-3H3,(H,22,24)(H,23,25)