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

Systemtic Name: ethyl 6-methyl-4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)naphthalen-1-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[2-[2-oxo-2-(1-piperidyl)ethoxy]-1-naphthyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[2-[2-oxo-2-(1-piperidinyl)ethoxy]-1-naphthalenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(2-keto-2-piperidino-ethoxy)-1-naphthyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=CC=CC=C32)OCC(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=CC=CC=C32)OCC(=O)N4CCCCC4)C

InChI

InChI=1S/C25H29N3O4S/c1-3-31-24(30)21-16(2)26-25(33)27-23(21)22-18-10-6-5-9-17(18)11-12-19(22)32-15-20(29)28-13-7-4-8-14-28/h5-6,9-12,23H,3-4,7-8,13-15H2,1-2H3,(H2,26,27,33)