2-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[[3-carbethoxy-4-(4-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H21ClN3O4S2- MolecularWeight: 491.00284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC)[O-]

InChI

InChI=1S/C22H22ClN3O4S2/c1-3-5-15-10-17(27)26-22(24-15)32-12-18(28)25-20-19(21(29)30-4-2)16(11-31-20)13-6-8-14(23)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,25,28)(H,24,26,27)/p-1