2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-2-11-29-21(28)16-9-6-10-17(12-16)23-20(27)14-30-22-24-18(13-19(26)25-22)15-7-4-3-5-8-15/h3-10,12-13H,2,11,14H2,1H3,(H,23,27)(H,24,25,26)/p-1