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

Systemtic Name: 2-phenoxyethyl (4R,5S)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (4R,5S)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-dimethylaminophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,5S)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-15-19(21(26)28-14-13-27-18-7-5-4-6-8-18)20(24-22(29)23-15)16-9-11-17(12-10-16)25(2)3/h4-12,19-20H,1,13-14H2,2-3H3,(H2,23,24,29)/t19-,20+/m1/s1