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

Systemtic Name: 3-[1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(4-methylanilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-keto-2-(p-toluidino)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-14-4-6-15(7-5-14)21-19(23)13-22-16(9-11-20(24)25)8-10-17(22)18-3-2-12-26-18/h2-8,10,12H,9,11,13H2,1H3,(H,21,23)(H,24,25)