methyl (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R,6E)-4-(3,4-dimethoxyphenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC/C=C/1\[C@@H]([C@@H](NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-5-6-11-14(16(20)23-4)15(19-17(24)18-11)10-7-8-12(21-2)13(9-10)22-3/h6-9,14-15H,5H2,1-4H3,(H2,18,19,24)/b11-6+/t14-,15-/m0/s1