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

Systemtic Name: prop-2-enyl (4R,5S)-4-(4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-(4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-4-9-21-15(19)13-10(2)17-16(22)18-14(13)11-5-7-12(20-3)8-6-11/h4-8,13-14H,1-2,9H2,3H3,(H2,17,18,22)/t13-,14+/m1/s1