2-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C22H22N3O5S2- MolecularWeight: 472.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(C(=N3)[O-])CCO)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(C(=N3)[O-])CCO)C

InChI

InChI=1S/C22H23N3O5S2/c1-3-30-21(29)16-11-17(14-7-5-4-6-8-14)32-20(16)24-18(27)12-31-22-23-13(2)15(9-10-26)19(28)25-22/h4-8,11,26H,3,9-10,12H2,1-2H3,(H,24,27)(H,23,25,28)/p-1