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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CS1)N2C=NN=N2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CS1)N2C=NN=N2

InChI

InChI=1S/C12H15N5O3S/c1-2-3-5-13-10(18)7-20-12(19)11-9(4-6-21-11)17-8-14-15-16-17/h4,6,8H,2-3,5,7H2,1H3,(H,13,18)