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

Systemtic Name: ethyl 6-methyl-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-keto-2-piperidino-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-27-20(26)18-14(2)22-21(29)23-19(18)15-7-9-16(10-8-15)28-13-17(25)24-11-5-4-6-12-24/h7-10,19H,3-6,11-13H2,1-2H3,(H2,22,23,29)