diethyl (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-methylsulfanyl-hexa-2,4-dienedioate

Systemtic Name: diethyl (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-methylsulfanyl-hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-methylsulfanyl-hexa-2,4-dienedioate CAS Name: (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-(methylthio)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-methylsulfanylhexa-2,4-dienedioate Traditional Name: (2Z,4E)-3,4-di(cyclopentyl)-2-deuterio-5-(methylthio)muconic 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(=C(C(=O)OCC)SC)[C]2[CH][CH][CH][CH]2

Isomeric SMILES

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

InChI

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