methyl (4R,5S)-4-(3-methoxy-2-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(3-methoxy-2-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(2-benzyloxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-benzoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C(C(=C)NC(=S)N3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)[C@H]3[C@@H](C(=C)NC(=S)N3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-13-17(20(24)26-3)18(23-21(28)22-13)15-10-7-11-16(25-2)19(15)27-12-14-8-5-4-6-9-14/h4-11,17-18H,1,12H2,2-3H3,(H2,22,23,28)/t17-,18+/m1/s1