methyl 3-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H17N3O5S/c1-28-19(27)13-8-5-9-14(10-13)21-15(24)11-29-20-22-17(25)16(18(26)23-20)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,21,24)(H2,22,23,25,26)