2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-4-(methylthio)butyric acid Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)NC(CCSC)C(=O)O)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)NC(CCSC)C(=O)O)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-12-10-15(11-17(24)22-16(20(26)27)8-9-28-3)23(2)18(12)19(25)13-4-6-14(21)7-5-13/h4-7,10,16H,8-9,11H2,1-3H3,(H,22,24)(H,26,27)