3-[1-[(3,4-dimethoxyphenyl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(3,4-dimethoxyphenyl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(3,4-dimethoxybenzoyl)amino]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(3,4-dimethoxybenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(2-thienyl)-1-(veratroylamino)pyrrol-2-yl]propionic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O)OC

InChI

InChI=1S/C20H20N2O5S/c1-26-16-9-5-13(12-17(16)27-2)20(25)21-22-14(7-10-19(23)24)6-8-15(22)18-4-3-11-28-18/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,25)(H,23,24)