3,3-bis[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: 3,3-bis[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: 3,3-bis[[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: 3,3-bis[[2-(4-chlorophenyl)-2-oxoethyl]thio]-2-cyano-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: 3,3-bis[[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: 3,3-bis[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C27H20Cl2N2O4S2 MolecularWeight: 571.4947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=C(SCC(=O)C2=CC=C(C=C2)Cl)SCC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(=C(SCC(=O)C2=CC=C(C=C2)Cl)SCC(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C27H20Cl2N2O4S2/c1-35-22-12-10-21(11-13-22)31-26(34)23(14-30)27(36-15-24(32)17-2-6-19(28)7-3-17)37-16-25(33)18-4-8-20(29)9-5-18/h2-13H,15-16H2,1H3,(H,31,34)