2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C18H21N3O4S/c1-4-14-11(3)19-18(21-16(14)23)26-10-15(22)20-13-8-6-12(7-9-13)17(24)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,20,22)(H,19,21,23)/p-1