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

Systemtic Name: (phenylmethyl) 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-isopentyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-isoamoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCCC(C)C)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4S/c1-16(2)12-13-30-20-11-10-19(14-21(20)29-4)23-22(17(3)26-25(32)27-23)24(28)31-15-18-8-6-5-7-9-18/h5-11,14,16,23H,12-13,15H2,1-4H3,(H2,26,27,32)