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

Systemtic Name: methyl 2-[2-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-allyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(1-prop-2-enyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-allyltetrazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2CC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2CC=C

InChI

InChI=1S/C14H15N5O3S/c1-3-8-19-14(16-17-18-19)23-9-12(20)15-11-7-5-4-6-10(11)13(21)22-2/h3-7H,1,8-9H2,2H3,(H,15,20)