4-(5-ethyl-4-methoxycarbonyl-1,3-thiazol-2-yl)benzoic acid

Systemtic Name: 4-(5-ethyl-4-methoxycarbonyl-1,3-thiazol-2-yl)benzoic acid Openeye Name: 4-(5-ethyl-4-methoxycarbonyl-thiazol-2-yl)benzoic acid CAS Name: 4-(5-ethyl-4-methoxycarbonyl-2-thiazolyl)benzoic acid IUPAC Name: 4-(5-ethyl-4-methoxycarbonyl-1,3-thiazol-2-yl)benzoic acid Traditional Name: 4-(4-carbomethoxy-5-ethyl-thiazol-2-yl)benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CCC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C14H13NO4S/c1-3-10-11(14(18)19-2)15-12(20-10)8-4-6-9(7-5-8)13(16)17/h4-7H,3H2,1-2H3,(H,16,17)