methyl 2-chloranyl-5-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H12ClN3O4S MolecularWeight: 353.78078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O4S/c1-22-13(21)9-6-8(2-3-10(9)15)17-12(20)7-23-14-16-5-4-11(19)18-14/h2-6H,7H2,1H3,(H,17,20)(H,16,18,19)