diethyl 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-methylsulfanyl-prop-2-enylidene]propanedioate

Systemtic Name: diethyl 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-methylsulfanyl-prop-2-enylidene]propanedioate Openeye Name: diethyl 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-methylsulfanyl-prop-2-enylidene]propanedioate CAS Name: 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-(methylthio)prop-2-enylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-methylsulfanylprop-2-enylidene]propanedioate Traditional Name: 2-[(E)-1,2-di(cyclopentyl)-3-deuterio-3-(methylthio)prop-2-enylidene]malonic acid diethyl ester Formula: C21H22O4S MolecularWeight: 371.468142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C([C]1[CH][CH][CH][CH]1)C(=CSC)[C]2[CH][CH][CH][CH]2)C(=O)OCC

Isomeric SMILES

[2H]/C(=C(/[C]1[CH][CH][CH][CH]1)\C(=C(C(=O)OCC)C(=O)OCC)[C]2[CH][CH][CH][CH]2)/SC

InChI

InChI=1S/C21H22O4S/c1-4-24-20(22)19(21(23)25-5-2)18(16-12-8-9-13-16)17(14-26-3)15-10-6-7-11-15/h6-14H,4-5H2,1-3H3/i14D