[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C19H17N5O4S MolecularWeight: 411.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C19H17N5O4S/c25-17(10-11-29-16-4-2-1-3-5-16)21-18(26)12-28-19(27)14-6-8-15(9-7-14)24-13-20-22-23-24/h1-9,13H,10-12H2,(H,21,25,26)