diethyl 5-azanyl-3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-tert-butyltetrazol-5-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H23N5O4S2 MolecularWeight: 413.51492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=NN2C(C)(C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=NN2C(C)(C)C)C(=O)OCC)N

InChI

InChI=1S/C16H23N5O4S2/c1-6-24-13(22)10-9(11(27-12(10)17)14(23)25-7-2)8-26-15-18-19-20-21(15)16(3,4)5/h6-8,17H2,1-5H3