2-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[(1,3-benzoxazol-2-ylthio)methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(1,3-benzoxazol-2-ylthio)methyl]thiazol-2-yl]carbamoyl]benzoic acid Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C19H13N3O4S2/c23-16(12-5-1-2-6-13(12)17(24)25)22-18-20-11(9-27-18)10-28-19-21-14-7-3-4-8-15(14)26-19/h1-9H,10H2,(H,24,25)(H,20,22,23)