ethyl (4S)-4-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(4-tert-butyl-2,6-dimethyl-benzyl)oxy-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC3=C(C=C(C=C3C)C(C)(C)C)C)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=C(C=C2)OCC3=C(C=C(C=C3C)C(C)(C)C)C)OC)C

InChI

InChI=1S/C28H36N2O4S/c1-9-33-26(31)24-18(4)29-27(35)30-25(24)19-10-11-22(23(14-19)32-8)34-15-21-16(2)12-20(13-17(21)3)28(5,6)7/h10-14,25H,9,15H2,1-8H3,(H2,29,30,35)/t25-/m0/s1