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

Systemtic Name: prop-2-enyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCC=C

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC=C

InChI

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