[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-13(2)11-24-21(27)14-7-3-5-9-16(14)25-18(26)12-29-22(28)20-19(23)15-8-4-6-10-17(15)30-20/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)