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

Systemtic Name: methyl 4-[2-[[4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,6-diketo-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=C(C=C1)NC(=O)CSC2=NC(=O)C(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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