[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C22H16N2O4S3 MolecularWeight: 468.56844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N2O4S3/c25-19(24-20(26)18-6-3-11-29-18)12-28-21(27)15-9-7-14(8-10-15)13-30-22-23-16-4-1-2-5-17(16)31-22/h1-11H,12-13H2,(H,24,25,26)