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

Systemtic Name: methyl (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanyl-thiophen-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-thiophene-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[3-(4-chlorophenyl)-4-cyano-5-(propan-2-ylthio)-2-thiophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanylthiophene-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)thiophene-2-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H23ClN2O3S3 MolecularWeight: 483.06692

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H23ClN2O3S3/c1-12(2)29-21-15(11-23)17(13-5-7-14(22)8-6-13)18(30-21)19(25)24-16(9-10-28-4)20(26)27-3/h5-8,12,16H,9-10H2,1-4H3,(H,24,25)/t16-/m1/s1