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

Systemtic Name: 6-ethyl-2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-8-25-17(24)12-6-5-7-14(9-12)19-16(23)11-26-18-20-13(4-2)10-15(22)21-18/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,19,23)(H,20,21,22)/p-1