2-[(4-chloranyl-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-chloranyl-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-chloro-1-isopropyl-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-chloro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-chloro-1-isopropyl-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)NC(CCSC)C(=O)O)Cl

InChI

InChI=1S/C13H19ClN2O3S/c1-8(2)16-7-9(14)6-11(16)12(17)15-10(13(18)19)4-5-20-3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)