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

Systemtic Name: diethyl (4S,5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Openeye Name: diethyl (4S,5R)-3-(4-methoxyphenyl)-4,5-dihydroisothiazole-4,5-dicarboxylate CAS Name: (4S,5R)-3-(4-methoxyphenyl)-4,5-dihydroisothiazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Traditional Name: (4S,5R)-3-(4-methoxyphenyl)-2-isothiazoline-4,5-dicarboxylic acid diethyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-4-21-15(18)12-13(10-6-8-11(20-3)9-7-10)17-23-14(12)16(19)22-5-2/h6-9,12,14H,4-5H2,1-3H3/t12-,14-/m1/s1