[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C20H19NO3S/c1-13-7-3-4-8-15(13)11-21-18(22)12-24-20(23)19-14(2)16-9-5-6-10-17(16)25-19/h3-10H,11-12H2,1-2H3,(H,21,22)