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

Systemtic Name: 2-methoxyethyl (4S,5R)-4-(2,4-dipropoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-5-9-26-15-7-8-16(17(13-15)27-10-6-2)19-18(14(3)22-21(29)23-19)20(24)28-12-11-25-4/h7-8,13,18-19H,3,5-6,9-12H2,1-2,4H3,(H2,22,23,29)/t18-,19+/m0/s1