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

Systemtic Name: butyl (4S,5S)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4S,5S)-4-(2-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4S,5S)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-4-methylene-6-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-4-6-11-23-17(21)15-12(3)19-18(24)20-16(15)13-9-7-8-10-14(13)22-5-2/h7-10,15-16H,3-6,11H2,1-2H3,(H2,19,20,24)/t15-,16-/m1/s1