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

Systemtic Name: methyl 3-[2-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)O

InChI

InChI=1S/C16H17N3O5S/c1-3-11-13(21)18-16(19-14(11)22)25-8-12(20)17-10-6-4-5-9(7-10)15(23)24-2/h4-7H,3,8H2,1-2H3,(H,17,20)(H2,18,19,21,22)