(phenylmethyl) (5R,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) (5R,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (5R,6S)-4-methylene-6-(4-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5R,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-(4-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-3-13-26-18-11-9-17(10-12-18)20-19(15(2)23-22(28)24-20)21(25)27-14-16-7-5-4-6-8-16/h4-12,19-20H,2-3,13-14H2,1H3,(H2,23,24,28)/t19-,20+/m0/s1