[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H15N3O3S3 MolecularWeight: 465.5678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C22H15N3O3S3/c23-11-14-9-10-29-20(14)25-19(26)12-28-21(27)16-6-2-1-5-15(16)13-30-22-24-17-7-3-4-8-18(17)31-22/h1-10H,12-13H2,(H,25,26)