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

Systemtic Name: ethyl 4-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C18H21N3O4S/c1-4-14-11(3)19-18(21-16(14)23)26-10-15(22)20-13-8-6-12(7-9-13)17(24)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,20,22)(H,19,21,23)