(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C16H17FN4O3S/c1-3-7-21-13(18-19-20-21)9-24-16(22)15-10(8-23-2)14-11(17)5-4-6-12(14)25-15/h4-6H,3,7-9H2,1-2H3