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

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H22N3O4S2- MolecularWeight: 456.55778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S2/c1-3-8-15-11-17(26)25-22(23-15)31-13-18(27)24-20-19(21(28)29-4-2)16(12-30-20)14-9-6-5-7-10-14/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,24,27)(H,23,25,26)/p-1