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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C19H21NO3S/c1-12-6-5-7-13(2)18(12)20-17(21)10-23-19(22)15-11-24-16-9-4-3-8-14(15)16/h5-7,11H,3-4,8-10H2,1-2H3,(H,20,21)