2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C17H18N3O5S- MolecularWeight: 376.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-2-24-9-10-25-16(23)12-3-5-13(6-4-12)19-15(22)11-26-17-18-8-7-14(21)20-17/h3-8H,2,9-11H2,1H3,(H,19,22)(H,18,20,21)/p-1