diethyl (2S,3R)-2-(4-methylphenyl)-3-thiocyanato-butanedioate

Systemtic Name: diethyl (2S,3R)-2-(4-methylphenyl)-3-thiocyanato-butanedioate Openeye Name: diethyl (2S,3R)-2-(p-tolyl)-3-thiocyanato-butanedioate CAS Name: (2S,3R)-2-(4-methylphenyl)-3-thiocyanatobutanedioic acid diethyl ester IUPAC Name: diethyl (2S,3R)-2-(4-methylphenyl)-3-thiocyanatobutanedioate Traditional Name: (2S,3R)-2-(p-tolyl)-3-thiocyanato-succinic acid diethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=C(C=C1)C)[C@H](C(=O)OCC)SC#N

InChI

InChI=1S/C16H19NO4S/c1-4-20-15(18)13(12-8-6-11(3)7-9-12)14(22-10-17)16(19)21-5-2/h6-9,13-14H,4-5H2,1-3H3/t13-,14-/m1/s1