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

Systemtic Name: ethyl 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C16H17N3O4S/c1-3-23-15(22)11-5-4-6-12(8-11)18-14(21)9-24-16-17-10(2)7-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)