ethyl (5R,6S)-4-methylidene-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(3-allyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-allyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=CC=C2)OCC=C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC(=CC=C2)OCC=C

InChI

InChI=1S/C17H20N2O3S/c1-4-9-22-13-8-6-7-12(10-13)15-14(16(20)21-5-2)11(3)18-17(23)19-15/h4,6-8,10,14-15H,1,3,5,9H2,2H3,(H2,18,19,23)/t14-,15+/m0/s1