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

Systemtic Name: 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanyl-pyrrol-2-yl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanyl-pyrrole-2-carbonyl)pyrrol-2-yl]acetic acid CAS Name: 2-[1,4-dimethyl-5-[[1-methyl-5-(methylthio)-2-pyrrolyl]-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanylpyrrole-2-carbonyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1,4-dimethyl-5-[1-methyl-5-(methylthio)pyrrole-2-carbonyl]pyrrol-2-yl]acetic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(N2C)SC

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(N2C)SC

InChI

InChI=1S/C15H18N2O3S/c1-9-7-10(8-13(18)19)16(2)14(9)15(20)11-5-6-12(21-4)17(11)3/h5-7H,8H2,1-4H3,(H,18,19)