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

Systemtic Name: [5-(3-methyl-1-benzothiophen-2-yl)-1,2,3,4-tetrazol-1-yl] propanoate Openeye Name: [5-(3-methylbenzothiophen-2-yl)tetrazol-1-yl] propanoate CAS Name: propanoic acid [5-(3-methyl-1-benzothiophen-2-yl)-1-tetrazolyl] ester IUPAC Name: [5-(3-methyl-1-benzothiophen-2-yl)tetrazol-1-yl] propanoate Traditional Name: propionic acid [5-(3-methylbenzothiophen-2-yl)tetrazol-1-yl] ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=NN=N1)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCC(=O)ON1C(=NN=N1)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C13H12N4O2S/c1-3-11(18)19-17-13(14-15-16-17)12-8(2)9-6-4-5-7-10(9)20-12/h4-7H,3H2,1-2H3