ethyl (4S)-4-[2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[2-[2-keto-2-(phenethylamino)ethoxy]phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)NCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1)C2=CC=CC=C2OCC(=O)NCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H31N3O4S/c1-3-10-20-23(25(31)32-4-2)24(29-26(34)28-20)19-13-8-9-14-21(19)33-17-22(30)27-16-15-18-11-6-5-7-12-18/h5-9,11-14,24H,3-4,10,15-17H2,1-2H3,(H,27,30)(H2,28,29,34)/t24-/m0/s1