[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C16H14N6O5S2 MolecularWeight: 434.44956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H14N6O5S2/c1-21-16(18-19-20-21)29-13-5-4-10(22(25)26)7-12(13)15(24)27-9-14(23)17-8-11-3-2-6-28-11/h2-7H,8-9H2,1H3,(H,17,23)