diethyl (E)-3-(phenylmethyl)-2-sulfanyl-pent-2-enedioate

Systemtic Name: diethyl (E)-3-(phenylmethyl)-2-sulfanyl-pent-2-enedioate Openeye Name: diethyl (E)-3-benzyl-2-sulfanyl-pent-2-enedioate CAS Name: (E)-2-mercapto-3-(phenylmethyl)-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (E)-3-benzyl-2-sulfanylpent-2-enedioate Traditional Name: (E)-3-benzyl-2-mercapto-pent-2-enedioic acid diethyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C(C(=O)OCC)S)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C/C(=C(\C(=O)OCC)/S)/CC1=CC=CC=C1

InChI

InChI=1S/C16H20O4S/c1-3-19-14(17)11-13(15(21)16(18)20-4-2)10-12-8-6-5-7-9-12/h5-9,21H,3-4,10-11H2,1-2H3/b15-13+