propan-2-yl 4-(4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: propan-2-yl 4-(4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: isopropyl 4-(4-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid isopropyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-9(2)21-15(19)13-10(3)17-16(22)18-14(13)11-5-7-12(20-4)8-6-11/h5-9,13-14H,3H2,1-2,4H3,(H2,17,18,22)