(2,3,6-trimethylphenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid (2,3,6-trimethylphenyl) ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3)C

InChI

InChI=1S/C16H16N4O3S/c1-10-6-7-11(2)15(12(10)3)23-14(21)9-19-16(22)20(18-17-19)13-5-4-8-24-13/h4-8H,9H2,1-3H3