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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethoxy-5-thiophen-2-yl-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-thienyl)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-(3-ethoxy-5-thiophen-2-ylphenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethoxy-5-thiophen-2-ylphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-thienyl)phenyl]acetic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)C3=CC=CS3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C21H18N2O3S/c1-2-26-18-11-15(19-4-3-9-27-19)10-16(12-18)20(21(24)25)23-17-7-5-14(13-22)6-8-17/h3-12,20,23H,2H2,1H3,(H,24,25)