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

Systemtic Name: propyl 4-[2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-2-8-25-17(24)12-3-5-14(6-4-12)18-15(23)10-22-20-16(19-21-22)13-7-9-26-11-13/h3-7,9,11H,2,8,10H2,1H3,(H,18,23)