4-[(4-ethoxy-3-methoxy-phenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(4-ethoxy-3-methoxy-phenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[4-ethoxy-3-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[4-ethoxy-3-methoxy-N-(5-thiazolylmethyl)anilino]benzoic acid IUPAC Name: 4-[4-ethoxy-3-methoxy-N-(1,3-thiazol-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[4-ethoxy-3-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-3-26-18-9-8-16(10-19(18)25-2)22(12-17-11-21-13-27-17)15-6-4-14(5-7-15)20(23)24/h4-11,13H,3,12H2,1-2H3,(H,23,24)