ethyl 2-cyano-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate Openeye Name: ethyl 3-(allylamino)-2-cyano-3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-prop-2-enoate CAS Name: 2-cyano-3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate Traditional Name: 3-(allylamino)-2-cyano-3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]acrylic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3,5-7,9,19H,1,4,8,11H2,2H3