ethyl 3-butyl-4-methyl-2-oxidanylidene-6-[4-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-4-methyl-2-oxidanylidene-6-[4-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-4-methyl-2-oxo-6-[4-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-4-methyl-2-oxo-6-[4-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[4-(2-thenoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)OCC)C

InChI

InChI=1S/C23H27N3O4S/c1-4-6-13-26-15(3)19(22(28)30-5-2)20(25-23(26)29)16-9-11-17(12-10-16)24-21(27)18-8-7-14-31-18/h7-12,14,20H,4-6,13H2,1-3H3,(H,24,27)(H,25,29)