methyl 4-[(4R,5S)-6-methylidene-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[(4R,5S)-6-methylidene-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[(4R,5S)-5-benzoyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4R,5S)-5-benzoyl-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R,5S)-5-benzoyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4R,5S)-5-benzoyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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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)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-12-16(18(23)14-6-4-3-5-7-14)17(22-20(26)21-12)13-8-10-15(11-9-13)19(24)25-2/h3-11,16-17H,1H2,2H3,(H2,21,22,26)/t16-,17+/m1/s1