2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)pyrimidin-4-olate Openeye Name: 6-benzyl-2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-6-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 6-benzyl-2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-benzyl-2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-2-29-21(28)16-8-10-17(11-9-16)23-20(27)14-30-22-24-18(13-19(26)25-22)12-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,23,27)(H,24,25,26)/p-1