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

Systemtic Name: butyl 4-[2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-2-3-10-27-17(25)13-6-8-14(9-7-13)19-15(24)12-22-18(26)23(21-20-22)16-5-4-11-28-16/h4-9,11H,2-3,10,12H2,1H3,(H,19,24)