4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoyl-amino]benzoic acid

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoyl-amino]benzoic acid Openeye Name: 4-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-propanoyl-amino]benzoic acid CAS Name: 4-[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-(1-oxopropyl)amino]benzoic acid IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid Traditional Name: 4-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-propionyl-amino]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=C(S2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=C(S2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O4S/c1-4-18(24)23(16-9-5-15(6-10-16)20(25)26)21-22-19(13(2)28-21)14-7-11-17(27-3)12-8-14/h5-12H,4H2,1-3H3,(H,25,26)