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

Systemtic Name: 3-[1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(4-ethoxyanilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-keto-2-(p-phenetidino)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-2-27-17-9-5-15(6-10-17)22-20(24)14-23-16(8-12-21(25)26)7-11-18(23)19-4-3-13-28-19/h3-7,9-11,13H,2,8,12,14H2,1H3,(H,22,24)(H,25,26)