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

Systemtic Name: 3-[1-(3-methylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(m-tolyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3-methylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(m-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(=CC=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

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

InChI

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