methyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-(3,4-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)OC

InChI

InChI=1S/C15H18N2O4S/c1-8-12(14(18)21-4)13(17-15(22)16-8)9-5-6-10(19-2)11(7-9)20-3/h5-7,12-13H,1H2,2-4H3,(H2,16,17,22)