methyl 4-[[(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]amino]benzoate CAS Name: 4-[[(2R)-1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-(1H-1,2,4-triazol-5-ylthio)propanoyl]amino]benzoic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC=NN2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC=NN2

InChI

InChI=1S/C13H14N4O3S/c1-8(21-13-14-7-15-17-13)11(18)16-10-5-3-9(4-6-10)12(19)20-2/h3-8H,1-2H3,(H,16,18)(H,14,15,17)/t8-/m1/s1