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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4S/c1-3-18-33-28(21-12-7-5-8-13-21)26(29(35)37-4-2)27(32-30(33)36)22-14-11-15-23(19-22)31-25(34)20-38-24-16-9-6-10-17-24/h5-17,19,27H,3-4,18,20H2,1-2H3,(H,31,34)(H,32,36)