(2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanyl-thiophen-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanyl-thiophen-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-thiophene-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[3-(4-chlorophenyl)-4-cyano-5-(propan-2-ylthio)-2-thiophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanylthiophene-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)thiophene-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C20H21ClN2O3S3 MolecularWeight: 469.04034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=C(S1)C(=O)NC(CCSC)C(=O)O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)SC1=C(C(=C(S1)C(=O)N[C@H](CCSC)C(=O)O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C20H21ClN2O3S3/c1-11(2)28-20-14(10-22)16(12-4-6-13(21)7-5-12)17(29-20)18(24)23-15(19(25)26)8-9-27-3/h4-7,11,15H,8-9H2,1-3H3,(H,23,24)(H,25,26)/t15-/m1/s1