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

Systemtic Name: 2-phenylsulfanylethyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-chlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCSC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCSC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O3S/c1-13-17(19(24)26-11-12-27-14-7-3-2-4-8-14)18(23-20(25)22-13)15-9-5-6-10-16(15)21/h2-10,17-18H,1,11-12H2,(H2,22,23,25)/t17-,18+/m1/s1