ethyl (Z)-2-cyano-3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl (Z)-3-anilino-2-cyano-3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-prop-2-enoate CAS Name: (Z)-3-anilino-2-cyano-3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-anilino-2-cyano-3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylprop-2-enoate Traditional Name: (Z)-3-anilino-2-cyano-3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]acrylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)SCC(=O)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/NC1=CC=CC=C1)\SCC(=O)C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C21H20N2O4S/c1-3-27-21(25)18(13-22)20(23-16-7-5-4-6-8-16)28-14-19(24)15-9-11-17(26-2)12-10-15/h4-12,23H,3,14H2,1-2H3/b20-18-