[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClNO3S/c1-11-7-9-13(10-8-11)21-18(22)12(2)24-19(23)17-16(20)14-5-3-4-6-15(14)25-17/h3-10,12H,1-2H3,(H,21,22)