[5-(1-benzothiophen-4-yl)-1,2,3,4-tetrazol-1-yl] propanoate

Systemtic Name: [5-(1-benzothiophen-4-yl)-1,2,3,4-tetrazol-1-yl] propanoate Openeye Name: [5-(benzothiophen-4-yl)tetrazol-1-yl] propanoate CAS Name: propanoic acid [5-(1-benzothiophen-4-yl)-1-tetrazolyl] ester IUPAC Name: [5-(1-benzothiophen-4-yl)tetrazol-1-yl] propanoate Traditional Name: propionic acid [5-(benzothiophen-4-yl)tetrazol-1-yl] ester Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=NN=N1)C2=C3C=CSC3=CC=C2

Isomeric SMILES

CCC(=O)ON1C(=NN=N1)C2=C3C=CSC3=CC=C2

InChI

InChI=1S/C12H10N4O2S/c1-2-11(17)18-16-12(13-14-15-16)9-4-3-5-10-8(9)6-7-19-10/h3-7H,2H2,1H3