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

Systemtic Name: methyl 4-[[2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4S/c1-25-15(23)12-6-4-11(5-7-12)9-17-13(22)10-20-16(24)21(19-18-20)14-3-2-8-26-14/h2-8H,9-10H2,1H3,(H,17,22)