methyl 4-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]benzoate CAS Name: 4-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]benzoate Traditional Name: 4-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]benzoic acid methyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-21-13(19)11-6-4-10(5-7-11)9-17-14(20)18(16-15-17)12-3-2-8-22-12/h2-8H,9H2,1H3