ethyl 3-ethyl-4-methyl-6-[3-(2-phenylmethoxyethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[3-(2-phenylmethoxyethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(2-benzyloxyacetyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[(1-oxo-2-phenylmethoxyethyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[3-[(2-phenylmethoxyacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(2-benzoxyacetyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)COCC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)COCC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C25H29N3O4S/c1-4-28-17(3)22(24(30)32-5-2)23(27-25(28)33)19-12-9-13-20(14-19)26-21(29)16-31-15-18-10-7-6-8-11-18/h6-14,23H,4-5,15-16H2,1-3H3,(H,26,29)(H,27,33)