methyl (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-methoxy-2-oxo-ethyl]cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-methoxy-2-oxoethyl]-1-cycloheptenyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-methoxy-2-oxoethyl]cyclohepten-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-[(1S)-1-cyano-2-keto-2-methoxy-ethyl]cyclohepten-1-yl]-3-(methylthio)acrylic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=C(CCCCC1)C(=C(C#N)C(=O)OC)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-22-16(20)13(9-18)11-7-5-4-6-8-12(11)15(24-3)14(10-19)17(21)23-2/h13H,4-8H2,1-3H3/b15-14-/t13-/m1/s1