[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 2,3-dihydrobenzothiophene-2-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2CC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2CC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H21NO3S/c1-12-8-9-16(13(2)10-12)21-19(22)14(3)24-20(23)18-11-15-6-4-5-7-17(15)25-18/h4-10,14,18H,11H2,1-3H3,(H,21,22)