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

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-14-18(20(24)26-12-11-25-2)19(23-21(28)22-14)15-7-6-10-17(13-15)27-16-8-4-3-5-9-16/h3-10,13,18-19H,1,11-12H2,2H3,(H2,22,23,28)/t18-,19+/m1/s1