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

Systemtic Name: 2-phenoxyethyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-14-19(21(25)29-12-11-28-15-7-5-4-6-8-15)20(24-22(30)23-14)17-13-16(26-2)9-10-18(17)27-3/h4-10,13,19-20H,1,11-12H2,2-3H3,(H2,23,24,30)/t19-,20+/m1/s1