2-[[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C19H15N3O4S2/c23-16(22-19-20-9-10-27-19)11-28-13-7-5-12(6-8-13)21-17(24)14-3-1-2-4-15(14)18(25)26/h1-10H,11H2,(H,21,24)(H,25,26)(H,20,22,23)