diethyl (4S,5R)-4-chloranyl-5-(4-chlorophenyl)sulfanyl-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: diethyl (4S,5R)-4-chloranyl-5-(4-chlorophenyl)sulfanyl-1,2-diazinane-1,2-dicarboxylate Openeye Name: diethyl (4S,5R)-4-chloro-5-(4-chlorophenyl)sulfanyl-hexahydropyridazine-1,2-dicarboxylate CAS Name: (4S,5R)-4-chloro-5-[(4-chlorophenyl)thio]diazinane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,5R)-4-chloro-5-(4-chlorophenyl)sulfanyldiazinane-1,2-dicarboxylate Traditional Name: (4S,5R)-4-chloro-5-[(4-chlorophenyl)thio]hexahydropyridazine-1,2-dicarboxylic acid diethyl ester Formula: C16H20Cl2N2O4S MolecularWeight: 407.312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(C(CN1C(=O)OCC)Cl)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)N1C[C@H]([C@H](CN1C(=O)OCC)Cl)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20Cl2N2O4S/c1-3-23-15(21)19-9-13(18)14(10-20(19)16(22)24-4-2)25-12-7-5-11(17)6-8-12/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1