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

Systemtic Name: 4-[(4-aminocarbonyl-3-methoxy-phenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[4-carbamoyl-3-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[4-carbamoyl-3-methoxy-N-(5-thiazolylmethyl)anilino]benzoic acid IUPAC Name: 4-[4-carbamoyl-3-methoxy-N-(1,3-thiazol-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[4-carbamoyl-3-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C19H17N3O4S/c1-26-17-8-14(6-7-16(17)18(20)23)22(10-15-9-21-11-27-15)13-4-2-12(3-5-13)19(24)25/h2-9,11H,10H2,1H3,(H2,20,23)(H,24,25)