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

Systemtic Name: butyl (5R,6S)-4-methylidene-6-(2-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (5R,6S)-4-methylene-6-(2-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(2-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (5R,6S)-4-methylidene-6-(2-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-(2-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OCCC

Isomeric SMILES

CCCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2OCCC

InChI

InChI=1S/C19H26N2O3S/c1-4-6-12-24-18(22)16-13(3)20-19(25)21-17(16)14-9-7-8-10-15(14)23-11-5-2/h7-10,16-17H,3-6,11-12H2,1-2H3,(H2,20,21,25)/t16-,17+/m0/s1