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

Systemtic Name: methyl 4-[[2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[5-(3-thiophenyl)-2-tetrazolyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C16H15N5O3S/c1-24-16(23)12-4-2-11(3-5-12)8-17-14(22)9-21-19-15(18-20-21)13-6-7-25-10-13/h2-7,10H,8-9H2,1H3,(H,17,22)