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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c24-17(19-10-11-27-16-4-2-1-3-5-16)12-26-18(25)14-6-8-15(9-7-14)23-13-20-21-22-23/h1-9,13H,10-12H2,(H,19,24)