ethyl (4S,5S)-4-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-benzyloxy-3-chloro-5-ethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(4-benzoxy-3-chloro-5-ethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCC)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O4S/c1-4-28-18-12-16(11-17(24)21(18)30-13-15-9-7-6-8-10-15)20-19(22(27)29-5-2)14(3)25-23(31)26-20/h6-12,19-20H,3-5,13H2,1-2H3,(H2,25,26,31)/t19-,20-/m1/s1