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

Systemtic Name: hexyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: hexyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OCC

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2OCC

InChI

InChI=1S/C20H28N2O3S/c1-4-6-7-10-13-25-19(23)17-14(3)21-20(26)22-18(17)15-11-8-9-12-16(15)24-5-2/h8-9,11-12,17-18H,3-7,10,13H2,1-2H3,(H2,21,22,26)/t17-,18+/m0/s1