ethyl 2-[(5Z)-5-(1-cyano-2-methoxy-2-oxidanylidene-ethylidene)-2H-1,2,3,4-tetrazol-1-yl]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[(5Z)-5-(1-cyano-2-methoxy-2-oxidanylidene-ethylidene)-2H-1,2,3,4-tetrazol-1-yl]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[(5Z)-5-(1-cyano-2-methoxy-2-oxo-ethylidene)-2H-tetrazol-1-yl]-4-methylsulfanyl-butanoate CAS Name: 2-[(5Z)-5-(1-cyano-2-methoxy-2-oxoethylidene)-2H-tetrazol-1-yl]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[(5Z)-5-(1-cyano-2-methoxy-2-oxoethylidene)-2H-tetrazol-1-yl]-4-methylsulfanylbutanoate Traditional Name: 2-[(5Z)-5-(1-cyano-2-keto-2-methoxy-ethylidene)-2H-tetrazol-1-yl]-4-(methylthio)butyric acid ethyl ester Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N1C(=C(C#N)C(=O)OC)N=NN1

Isomeric SMILES

CCOC(=O)C(CCSC)N1/C(=C(\C#N)/C(=O)OC)/N=NN1

InChI

InChI=1S/C12H17N5O4S/c1-4-21-12(19)9(5-6-22-3)17-10(14-15-16-17)8(7-13)11(18)20-2/h9H,4-6H2,1-3H3,(H,14,16)/b10-8+