tert-butyl (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: tert-butyl (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC(C)(C)C)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC(C)(C)C)OCCC

InChI

InChI=1S/C22H32N2O4S/c1-7-11-26-15-9-10-16(17(13-15)27-12-8-2)19-18(14(3)23-21(29)24-19)20(25)28-22(4,5)6/h9-10,13,18-19H,3,7-8,11-12H2,1-2,4-6H3,(H2,23,24,29)/t18-,19+/m0/s1