[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H17N3O4S MolecularWeight: 443.47448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H17N3O4S/c25-13-16-6-5-8-18(12-16)26-22(28)14-30-23(29)19-9-2-1-7-17(19)15-32-24-27-20-10-3-4-11-21(20)31-24/h1-12H,14-15H2,(H,26,28)