(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C17H25N5O3S/c1-6-7-8-22-12(19-20-21-22)10-25-15(23)14-11(2)9-13(26-14)18-16(24)17(3,4)5/h9H,6-8,10H2,1-5H3,(H,18,24)