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

Systemtic Name: prop-2-enyl (4R,5S)-4-(4-methoxycarbonylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-(4-methoxycarbonylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-methoxycarbonylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-(4-methoxycarbonylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-carbomethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-4-9-23-16(21)13-10(2)18-17(24)19-14(13)11-5-7-12(8-6-11)15(20)22-3/h4-8,13-14H,1-2,9H2,3H3,(H2,18,19,24)/t13-,14+/m1/s1