ethyl (2S)-2-azanyl-5-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoate

Systemtic Name: ethyl (2S)-2-azanyl-5-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoate Openeye Name: ethyl (2S)-2-amino-5-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoate CAS Name: (2S)-2-amino-5-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-5-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoate Traditional Name: (2S)-2-amino-5-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)thio]valeric acid ethyl ester Formula: C9H16N4O3S MolecularWeight: 260.31334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCSC1=NC(=O)NN1)N

Isomeric SMILES

CCOC(=O)[C@H](CCCSC1=NC(=O)NN1)N

InChI

InChI=1S/C9H16N4O3S/c1-2-16-7(14)6(10)4-3-5-17-9-11-8(15)12-13-9/h6H,2-5,10H2,1H3,(H2,11,12,13,15)/t6-/m0/s1