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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C16H14N4O4S/c1-23-13-4-2-11(3-5-13)14(21)9-24-15(22)8-20-18-16(17-19-20)12-6-7-25-10-12/h2-7,10H,8-9H2,1H3