ethyl 4-(4-ethoxy-3-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(4-ethoxy-3-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(4-ethoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-ethoxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

InChI

InChI=1S/C17H22N2O4S/c1-5-22-12-8-7-11(9-13(12)21-4)15-14(16(20)23-6-2)10(3)18-17(24)19-15/h7-9,14-15H,3,5-6H2,1-2,4H3,(H2,18,19,24)