O6-ethyl O1-methyl (E,4E)-4-(dimethylaminomethylidene)-5-oxidanylidene-2-phenylsulfanyl-hex-2-enedioate

Systemtic Name: O6-ethyl O1-methyl (E,4E)-4-(dimethylaminomethylidene)-5-oxidanylidene-2-phenylsulfanyl-hex-2-enedioate Openeye Name: O6-ethyl O1-methyl (E,4E)-4-(dimethylaminomethylene)-5-oxo-2-phenylsulfanyl-hex-2-enedioate CAS Name: (E,4E)-4-(dimethylaminomethylidene)-5-oxo-2-(phenylthio)-2-hexenedioic acid O6-ethyl ester O1-methyl ester IUPAC Name: 6-O-ethyl 1-O-methyl (E,4E)-4-(dimethylaminomethylidene)-5-oxo-2-phenylsulfanylhex-2-enedioate Traditional Name: (E,4E)-4-(dimethylaminomethylene)-5-keto-2-(phenylthio)hex-2-enedioic acid O6-ethyl ester O1-methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(=CN(C)C)C=C(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)/C(=C/N(C)C)/C=C(\C(=O)OC)/SC1=CC=CC=C1

InChI

InChI=1S/C18H21NO5S/c1-5-24-18(22)16(20)13(12-19(2)3)11-15(17(21)23-4)25-14-9-7-6-8-10-14/h6-12H,5H2,1-4H3/b13-12+,15-11+