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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-3-propyl-6-[3-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-3-propyl-6-[3-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-3-propyl-6-[3-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-3-propyl-6-[3-(2-thenoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-3-15-30-24(18-10-6-5-7-11-18)22(26(32)34-4-2)23(29-27(30)33)19-12-8-13-20(17-19)28-25(31)21-14-9-16-35-21/h5-14,16-17,23H,3-4,15H2,1-2H3,(H,28,31)(H,29,33)