2-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C20H18N3O4S2- MolecularWeight: 428.50462

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S2/c1-3-27-19(26)17-14(13-6-4-12(2)5-7-13)10-28-18(17)22-16(25)11-29-20-21-9-8-15(24)23-20/h4-10H,3,11H2,1-2H3,(H,22,25)(H,21,23,24)/p-1