methyl 2-cyano-2-[3,4-dimethyl-6-(3-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3,4-dimethyl-6-(3-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3,4-dimethyl-6-(m-tolylsulfanyl)-2,5-dioxo-cyclohex-3-en-1-yl]acetate CAS Name: 2-cyano-2-[3,4-dimethyl-6-[(3-methylphenyl)thio]-2,5-dioxo-1-cyclohex-3-enyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3,4-dimethyl-6-(3-methylphenyl)sulfanyl-2,5-dioxocyclohex-3-en-1-yl]acetate Traditional Name: 2-cyano-2-[2,5-diketo-3,4-dimethyl-6-(m-tolylthio)cyclohex-3-en-1-yl]acetic acid methyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2C(C(=O)C(=C(C2=O)C)C)C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)SC2C(C(=O)C(=C(C2=O)C)C)C(C#N)C(=O)OC

InChI

InChI=1S/C19H19NO4S/c1-10-6-5-7-13(8-10)25-18-15(14(9-20)19(23)24-4)16(21)11(2)12(3)17(18)22/h5-8,14-15,18H,1-4H3