2-ethylsulfanylethyl (4S,5R)-4-(3,4-dichlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dichlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dichlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3,4-dichlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3,4-dichlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C16H18Cl2N2O3S MolecularWeight: 389.29672

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCSCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O3S/c1-3-24-7-6-23-15(21)13-9(2)19-16(22)20-14(13)10-4-5-11(17)12(18)8-10/h4-5,8,13-14H,2-3,6-7H2,1H3,(H2,19,20,22)/t13-,14+/m0/s1