ethyl (2R)-2-cyano-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enylimino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enylimino-propanoate Openeye Name: ethyl (2R)-3-allylimino-2-cyano-3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2R)-2-cyano-3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyliminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyliminopropanoate Traditional Name: (2R)-3-allylimino-2-cyano-3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]propionic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NCC=C)SCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](C#N)C(=NCC=C)SCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-3-8-19-16(14(10-18)17(22)25-4-2)26-11-15(21)12-6-5-7-13(9-12)20(23)24/h3,5-7,9,14H,1,4,8,11H2,2H3/t14-/m0/s1