3-[1-(4-methylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(p-tolyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(p-tolyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C18H17NO2S/c1-13-4-6-14(7-5-13)19-15(9-11-18(20)21)8-10-16(19)17-3-2-12-22-17/h2-8,10,12H,9,11H2,1H3,(H,20,21)