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

Systemtic Name: methyl 2-cyano-2-[3,4-dimethyl-2,5-bis(oxidanylidene)-6-phenylsulfanyl-cyclohex-3-en-1-yl]ethanoate Openeye Name: methyl 2-cyano-2-(3,4-dimethyl-2,5-dioxo-6-phenylsulfanyl-cyclohex-3-en-1-yl)acetate CAS Name: 2-cyano-2-[3,4-dimethyl-2,5-dioxo-6-(phenylthio)-1-cyclohex-3-enyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-(3,4-dimethyl-2,5-dioxo-6-phenylsulfanylcyclohex-3-en-1-yl)acetate Traditional Name: 2-cyano-2-[2,5-diketo-3,4-dimethyl-6-(phenylthio)cyclohex-3-en-1-yl]acetic acid methyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(C1=O)C(C#N)C(=O)OC)SC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)C(C(C1=O)C(C#N)C(=O)OC)SC2=CC=CC=C2)C

InChI

InChI=1S/C18H17NO4S/c1-10-11(2)16(21)17(24-12-7-5-4-6-8-12)14(15(10)20)13(9-19)18(22)23-3/h4-8,13-14,17H,1-3H3