(2S)-4-(4-chlorophenyl)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-(4-chlorophenyl)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(4-chlorophenyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(4-chlorophenyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(4-chlorophenyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(4-chlorophenyl)-3-pyrroline-2-carboxylic acid Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(=CC1C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(=C[C@H]1C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-10(9-24-11(2)20)16(21)19-8-13(7-15(19)17(22)23)12-3-5-14(18)6-4-12/h3-7,10,15H,8-9H2,1-2H3,(H,22,23)/t10?,15-/m0/s1