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

Systemtic Name: methyl 4-chloranyl-3-[2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C15H12ClN5O4S MolecularWeight: 393.80488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O4S/c1-25-14(23)9-4-5-10(16)11(7-9)17-12(22)8-20-15(24)21(19-18-20)13-3-2-6-26-13/h2-7H,8H2,1H3,(H,17,22)