2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H20N3O5S- MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-3-25-8-9-26-17(24)13-4-6-14(7-5-13)20-16(23)11-27-18-19-12(2)10-15(22)21-18/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,23)(H,19,21,22)/p-1