ethyl 4-oxidanyl-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-oxidanyl-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-hydroxy-4-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-hydroxy-4-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CNC(=S)NC1(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1CNC(=S)NC1(C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O3S/c1-2-18-11(16)10-8-14-12(19)15-13(10,17)9-6-4-3-5-7-9/h3-7,10,17H,2,8H2,1H3,(H2,14,15,19)