3-[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-(2,4-dimethoxyphenyl)-5-(2-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(2,4-dimethoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(2,4-dimethoxyphenyl)-5-(2-thienyl)pyrrol-2-yl]propionate Formula: C19H18NO4S- MolecularWeight: 356.41552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])OC

InChI

InChI=1S/C19H19NO4S/c1-23-14-7-9-15(17(12-14)24-2)20-13(6-10-19(21)22)5-8-16(20)18-4-3-11-25-18/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,21,22)/p-1