ethyl 2-cyano-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate Openeye Name: ethyl 3-(allylamino)-2-cyano-3-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-prop-2-enoate CAS Name: 2-cyano-3-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(prop-2-enylamino)prop-2-enoate Traditional Name: 3-(allylamino)-2-cyano-3-[[2-keto-2-(p-tolyl)ethyl]thio]acrylic acid ethyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC=C)SCC(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCOC(=O)C(=C(NCC=C)SCC(=O)C1=CC=C(C=C1)C)C#N

InChI

InChI=1S/C18H20N2O3S/c1-4-10-20-17(15(11-19)18(22)23-5-2)24-12-16(21)14-8-6-13(3)7-9-14/h4,6-9,20H,1,5,10,12H2,2-3H3