ethyl (E)-2-cyano-3-methylsulfanyl-3-[2-(3,4,5-trimethoxyphenyl)carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-[2-(3,4,5-trimethoxyphenyl)carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-[2-(3,4,5-trimethoxybenzoyl)hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-[N'-(3,4,5-trimethoxybenzoyl)hydrazino]acrylic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/SC)/C#N

InChI

InChI=1S/C17H21N3O6S/c1-6-26-17(22)11(9-18)16(27-5)20-19-15(21)10-7-12(23-2)14(25-4)13(8-10)24-3/h7-8,20H,6H2,1-5H3,(H,19,21)/b16-11+