(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C17H23N5O3S/c1-3-4-9-22-14(19-20-21-22)10-25-17(24)15-12-7-5-6-8-13(12)26-16(15)18-11(2)23/h3-10H2,1-2H3,(H,18,23)