2-[(4-cyanophenyl)amino]-2-(4,5-dimethoxy-2-thiophen-3-yl-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(4,5-dimethoxy-2-thiophen-3-yl-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[4,5-dimethoxy-2-(3-thienyl)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[4,5-dimethoxy-2-(3-thiophenyl)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(4,5-dimethoxy-2-thiophen-3-ylphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[4,5-dimethoxy-2-(3-thienyl)phenyl]acetic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CSC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CSC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H18N2O4S/c1-26-18-9-16(14-7-8-28-12-14)17(10-19(18)27-2)20(21(24)25)23-15-5-3-13(11-22)4-6-15/h3-10,12,20,23H,1-2H3,(H,24,25)