diethyl (4S,5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate

Systemtic Name: diethyl (4S,5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Openeye Name: diethyl (4S,5R)-3-(p-tolyl)-4,5-dihydroisothiazole-4,5-dicarboxylate CAS Name: (4S,5R)-3-(4-methylphenyl)-4,5-dihydroisothiazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Traditional Name: (4S,5R)-3-(p-tolyl)-2-isothiazoline-4,5-dicarboxylic acid diethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SN=C1C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SN=C1C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C16H19NO4S/c1-4-20-15(18)12-13(11-8-6-10(3)7-9-11)17-22-14(12)16(19)21-5-2/h6-9,12,14H,4-5H2,1-3H3/t12-,14-/m1/s1