ethyl (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-oxo-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-1-cycloheptenyl]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]cyclohepten-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(1S)-1-cyano-2-ethoxy-2-keto-ethyl]cyclohepten-1-yl]-3-(methylthio)acrylic acid ethyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(CCCCC1)C(=C(C#N)C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=C(CCCCC1)/C(=C(/C#N)\C(=O)OCC)/SC

InChI

InChI=1S/C19H24N2O4S/c1-4-24-18(22)15(11-20)13-9-7-6-8-10-14(13)17(26-3)16(12-21)19(23)25-5-2/h15H,4-10H2,1-3H3/b17-16+/t15-/m1/s1