(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C15H15ClN4O2S MolecularWeight: 350.8232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H15ClN4O2S/c1-2-3-8-20-12(17-18-19-20)9-22-15(21)14-13(16)10-6-4-5-7-11(10)23-14/h4-7H,2-3,8-9H2,1H3