5-cyano-2-[[5-(phenylmethylsulfanyl)-1,2-oxazol-3-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[5-(phenylmethylsulfanyl)-1,2-oxazol-3-yl]carbonylamino]benzoic acid Openeye Name: 2-[(5-benzylsulfanylisoxazole-3-carbonyl)amino]-5-cyano-benzoic acid CAS Name: 5-cyano-2-[[oxo-[5-(phenylmethylthio)-3-isoxazolyl]methyl]amino]benzoic acid IUPAC Name: 2-[(5-benzylsulfanyl-1,2-oxazole-3-carbonyl)amino]-5-cyanobenzoic acid Traditional Name: 2-[[5-(benzylthio)isoxazole-3-carbonyl]amino]-5-cyano-benzoic acid Formula: C19H13N3O4S MolecularWeight: 379.38922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H13N3O4S/c20-10-13-6-7-15(14(8-13)19(24)25)21-18(23)16-9-17(26-22-16)27-11-12-4-2-1-3-5-12/h1-9H,11H2,(H,21,23)(H,24,25)