ethyl (2S)-3-oxidanylidene-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate

Systemtic Name: ethyl (2S)-3-oxidanylidene-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: (2S)-3-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C16H18N4O3S/c1-4-10-20-14(12-6-8-17-9-7-12)18-19-16(20)24-13(11(3)21)15(22)23-5-2/h4,6-9,13H,1,5,10H2,2-3H3/t13-/m0/s1