4-[(3,4-diethoxyphenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(3,4-diethoxyphenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[3,4-diethoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[3,4-diethoxy-N-(5-thiazolylmethyl)anilino]benzoic acid IUPAC Name: 4-[3,4-diethoxy-N-(1,3-thiazol-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3,4-diethoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-26-19-10-9-17(11-20(19)27-4-2)23(13-18-12-22-14-28-18)16-7-5-15(6-8-16)21(24)25/h5-12,14H,3-4,13H2,1-2H3,(H,24,25)