5-ethyl-2-[2-[(3-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-[2-[(3-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-(3-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-(3-methoxycarbonylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-(3-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-carbomethoxyanilino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-4-13-10(2)18-17(20-15(13)22)25-9-14(21)19-12-7-5-6-11(8-12)16(23)24-3/h5-8H,4,9H2,1-3H3,(H,19,21)(H,18,20,22)/p-1