[1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H21ClN2O4S/c1-11(18(25)23-15-9-5-4-8-14(15)21)27-20(26)17-13-7-3-6-10-16(13)28-19(17)22-12(2)24/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,22,24)(H,23,25)