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

Systemtic Name: butyl 4-[2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-(3-thiophenyl)-2-tetrazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]benzoic acid butyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C18H19N5O3S/c1-2-3-9-26-18(25)13-4-6-15(7-5-13)19-16(24)11-23-21-17(20-22-23)14-8-10-27-12-14/h4-8,10,12H,2-3,9,11H2,1H3,(H,19,24)