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

Systemtic Name: ethyl 6-(3,4-dimethoxyphenyl)-1-ethanoyl-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 1-acetyl-6-(3,4-dimethoxyphenyl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 1-acetyl-6-(3,4-dimethoxyphenyl)-4-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-acetyl-6-(3,4-dimethoxyphenyl)-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 1-acetyl-6-(3,4-dimethoxyphenyl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=S)NC1=C)C(=O)C)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1C(N(C(=S)NC1=C)C(=O)C)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H22N2O5S/c1-6-25-17(22)15-10(2)19-18(26)20(11(3)21)16(15)12-7-8-13(23-4)14(9-12)24-5/h7-9,15-16H,2,6H2,1,3-5H3,(H,19,26)