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

Systemtic Name: 3-[1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-27-15-7-9-18(28-2)16(12-15)22-20(24)13-23-14(6-10-21(25)26)5-8-17(23)19-4-3-11-29-19/h3-5,7-9,11-12H,6,10,13H2,1-2H3,(H,22,24)(H,25,26)