[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=NN=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=NN=N3

InChI

InChI=1S/C14H17N5O3S/c20-12(18-6-3-1-2-4-7-18)9-22-14(21)13-11(5-8-23-13)19-10-15-16-17-19/h5,8,10H,1-4,6-7,9H2