(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-phenyloxazol-2-yl)methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (5-phenyloxazol-2-yl)methyl ester Formula: C26H19N3O4S MolecularWeight: 469.51176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(O2)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(O2)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H19N3O4S/c27-14-18-7-6-10-20(13-18)29-24(30)17-34-23-12-5-4-11-21(23)26(31)32-16-25-28-15-22(33-25)19-8-2-1-3-9-19/h1-13,15H,16-17H2,(H,29,30)