ethyl 4-[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-keto-2-piperidino-ethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)C

InChI

InChI=1S/C22H29N3O5S/c1-4-29-21(27)19-14(2)23-22(31)24-20(19)15-8-9-16(17(12-15)28-3)30-13-18(26)25-10-6-5-7-11-25/h8-9,12,20H,4-7,10-11,13H2,1-3H3,(H2,23,24,31)