methyl (E)-2-cyano-3-[4-[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]piperazin-1-yl]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[4-[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]piperazin-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[4-[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxo-prop-1-enyl]piperazin-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(E)-2-cyano-3-methoxy-1-(methylthio)-3-oxoprop-1-enyl]-1-piperazinyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[4-[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxoprop-1-enyl]piperazin-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(E)-2-cyano-3-keto-3-methoxy-1-(methylthio)prop-1-enyl]piperazino]-3-(methylthio)acrylic acid methyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(N1CCN(CC1)C(=C(C#N)C(=O)OC)SC)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(/SC)\N1CCN(CC1)/C(=C(\C(=O)OC)/C#N)/SC)/C#N

InChI

InChI=1S/C16H20N4O4S2/c1-23-15(21)11(9-17)13(25-3)19-5-7-20(8-6-19)14(26-4)12(10-18)16(22)24-2/h5-8H2,1-4H3/b13-11+,14-12+