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

Systemtic Name: ethyl 6-methyl-4-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[2-(benzylamino)-2-oxo-ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(benzylamino)-2-oxoethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-[2-(benzylamino)-2-keto-ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O4S/c1-3-29-22(28)20-15(2)25-23(31)26-21(20)17-11-7-8-12-18(17)30-14-19(27)24-13-16-9-5-4-6-10-16/h4-12,21H,3,13-14H2,1-2H3,(H,24,27)(H2,25,26,31)