ethyl (5R,6S)-4-methylidene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-2-thioxo-6-(2,3,4-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-2-thioxo-6-(2,3,4-trimethoxyphenyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C17H22N2O5S/c1-6-24-16(20)12-9(2)18-17(25)19-13(12)10-7-8-11(21-3)15(23-5)14(10)22-4/h7-8,12-13H,2,6H2,1,3-5H3,(H2,18,19,25)/t12-,13+/m0/s1