ethyl (5S,6S)-4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5S,6S)-4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(4-benzoyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](NC(=S)NC1=C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-3-26-20(25)17-13(2)22-21(28)23-18(17)14-9-11-16(12-10-14)27-19(24)15-7-5-4-6-8-15/h4-12,17-18H,2-3H2,1H3,(H2,22,23,28)/t17-,18-/m1/s1