ethyl (4R)-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[5-(4-ethoxycarbonylphenyl)-2-furyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[5-(4-ethoxycarbonylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[5-(4-carbethoxyphenyl)-2-furyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(NC(=S)N3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)[C@H]3C(=C(NC(=S)N3)C)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-4-26-19(24)14-8-6-13(7-9-14)15-10-11-16(28-15)18-17(20(25)27-5-2)12(3)22-21(29)23-18/h6-11,18H,4-5H2,1-3H3,(H2,22,23,29)/t18-/m0/s1