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

Systemtic Name: [(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1S)-2-(3-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 [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-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 [(1S)-2-(3-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=C1)Cl)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H21ClN2O4S/c1-11(18(25)23-14-7-5-6-13(21)10-14)27-20(26)17-15-8-3-4-9-16(15)28-19(17)22-12(2)24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1