2-[5-(5-chloranyl-1-methyl-pyrrol-2-yl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(5-chloranyl-1-methyl-pyrrol-2-yl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(5-chloro-1-methyl-pyrrole-2-carbonyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(5-chloro-1-methyl-2-pyrrolyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(5-chloro-1-methylpyrrole-2-carbonyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(5-chloro-1-methyl-pyrrole-2-carbonyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1Cl)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

Isomeric SMILES

CN1C(=CC=C1Cl)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

InChI

InChI=1S/C14H15ClN2O3S/c1-16-8(7-12(18)19)6-10(21-3)13(16)14(20)9-4-5-11(15)17(9)2/h4-6H,7H2,1-3H3,(H,18,19)