propan-2-yl (4R)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (4R)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl (4R)-4-(4-isopentyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-isoamoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCCC(C)C)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)OCCC(C)C)OC)C(=O)OC(C)C

InChI

InChI=1S/C21H30N2O4S/c1-12(2)9-10-26-16-8-7-15(11-17(16)25-6)19-18(20(24)27-13(3)4)14(5)22-21(28)23-19/h7-8,11-13,19H,9-10H2,1-6H3,(H2,22,23,28)/t19-/m1/s1