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

Systemtic Name: 2-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C26H22N3O4S2- MolecularWeight: 504.60058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S2/c1-3-33-25(32)23-19(17-11-9-16(2)10-12-17)14-34-24(23)28-22(31)15-35-26-27-20(13-21(30)29-26)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,28,31)(H,27,29,30)/p-1