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

Systemtic Name: methyl 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[(1-methyl-5-tetrazolyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(1-methyltetrazol-5-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C13H15N5O3S/c1-18-13(15-16-17-18)22-8-7-11(19)14-10-6-4-3-5-9(10)12(20)21-2/h3-6H,7-8H2,1-2H3,(H,14,19)