[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O4S/c1-14(2)12-23-21(26)16-8-4-5-9-17(16)24-20(25)13-28-22(27)19-11-15-7-3-6-10-18(15)29-19/h3-11,14H,12-13H2,1-2H3,(H,23,26)(H,24,25)