methyl (2R)-2-[2-[(1-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[2-[(1-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[[2-[(1-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[2-[(1-amino-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(1-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[2-[(1-amino-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NN(C=N2)N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NN(C=N2)N

InChI

InChI=1S/C13H15N5O3S/c1-21-12(20)11(9-5-3-2-4-6-9)16-10(19)7-22-13-15-8-18(14)17-13/h2-6,8,11H,7,14H2,1H3,(H,16,19)/t11-/m1/s1