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

Systemtic Name: 2-phenylsulfanylethyl (4R,5R)-4-(4-methoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4R,5R)-4-(4-methoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(4-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (4R,5R)-4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-2-keto-4-(4-methoxyphenyl)-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-14-18(20(24)27-12-13-28-17-6-4-3-5-7-17)19(23-21(25)22-14)15-8-10-16(26-2)11-9-15/h3-11,18-19H,1,12-13H2,2H3,(H2,22,23,25)/t18-,19-/m0/s1