ethyl 4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyclopentyloxy-3-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyclopentyloxy-3-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3CCCC3)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3CCCC3)OC)C(=O)OCC

InChI

InChI=1S/C22H30N2O4S/c1-4-8-16-19(21(25)27-5-2)20(24-22(29)23-16)14-11-12-17(18(13-14)26-3)28-15-9-6-7-10-15/h11-13,15,20H,4-10H2,1-3H3,(H2,23,24,29)