ethyl (4S,5R)-4-[3-chloranyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-[3-chloranyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-[3-chloro-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[3-chloro-4-(2-ethoxy-2-keto-ethoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H23ClN2O6S MolecularWeight: 442.91372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1Cl)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1Cl)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC)OC

InChI

InChI=1S/C19H23ClN2O6S/c1-5-26-14(23)9-28-17-12(20)7-11(8-13(17)25-4)16-15(18(24)27-6-2)10(3)21-19(29)22-16/h7-8,15-16H,3,5-6,9H2,1-2,4H3,(H2,21,22,29)/t15-,16+/m0/s1