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

Systemtic Name: 2-[5-(4-cyclopropylphenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-cyclopropylbenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-cyclopropylphenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-cyclopropylbenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-cyclopropylbenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C3CC3)SC)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C3CC3)SC)CC(=O)O

InChI

InChI=1S/C18H19NO3S/c1-19-14(10-16(20)21)9-15(23-2)17(19)18(22)13-7-5-12(6-8-13)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)