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

Systemtic Name: methyl 4-[3-chloranyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-[3-chloro-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[3-chloro-4-(2-ethoxy-2-keto-ethoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C18H21ClN2O6S MolecularWeight: 428.88714

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O6S/c1-5-26-13(22)8-27-16-11(19)6-10(7-12(16)24-3)15-14(17(23)25-4)9(2)20-18(28)21-15/h6-7,14-15H,2,5,8H2,1,3-4H3,(H2,20,21,28)