methyl (2R)-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O4S/c1-3-9-21-16(24)19-20-17(21)26-11-14(22)18-13(15(23)25-2)10-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,18,22)(H,19,24)/t13-/m1/s1