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

Systemtic Name: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3)C

InChI

InChI=1S/C20H23NO3S/c1-12-7-6-9-16(13(12)2)21-19(22)14(3)24-20(23)18-11-15-8-4-5-10-17(15)25-18/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,21,22)