ethyl (4R)-4-[5-chloranyl-2-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[5-chloranyl-2-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[5-chloro-2-(2-methoxy-2-oxo-ethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[5-chloro-2-(2-methoxy-2-oxoethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[5-chloro-2-(2-methoxy-2-oxoethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[5-chloro-2-(2-keto-2-methoxy-ethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Cl)OCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=CC(=C2)Cl)OCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O5S/c1-3-29-21(27)18-19(13-7-5-4-6-8-13)24-22(31)25-20(18)15-11-14(23)9-10-16(15)30-12-17(26)28-2/h4-11,20H,3,12H2,1-2H3,(H2,24,25,31)/t20-/m1/s1