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

Systemtic Name: 3-[1-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2-carbomethoxyanilino)-2-keto-ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-28-21(27)15-5-2-3-6-16(15)22-19(24)13-23-14(9-11-20(25)26)8-10-17(23)18-7-4-12-29-18/h2-8,10,12H,9,11,13H2,1H3,(H,22,24)(H,25,26)