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

Systemtic Name: prop-2-enyl (4R,5S)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC=C)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCC=C)O

InChI

InChI=1S/C16H18N2O4S/c1-4-7-22-15(20)13-9(2)17-16(23)18-14(13)10-5-6-11(19)12(8-10)21-3/h4-6,8,13-14,19H,1-2,7H2,3H3,(H2,17,18,23)/t13-,14+/m1/s1