[4-(thiophen-2-ylcarbonylamino)phenyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [4-(2-thenoylamino)phenyl] ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-14(2)20(26-21(27)15-5-7-16(24)8-6-15)23(29)30-18-11-9-17(10-12-18)25-22(28)19-4-3-13-31-19/h3-14,20H,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1