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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (1-propyltetrazol-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-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-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-propyltetrazol-5-yl)methyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C16H21N5O3S/c1-3-8-21-13(18-19-20-21)9-24-16(23)14-11-6-4-5-7-12(11)25-15(14)17-10(2)22/h3-9H2,1-2H3,(H,17,22)