[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C17H16N4O3S/c1-2-12-3-5-13(6-4-12)15(22)10-24-16(23)9-21-19-17(18-20-21)14-7-8-25-11-14/h3-8,11H,2,9-10H2,1H3