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

Systemtic Name: methyl 3-[2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N

InChI

InChI=1S/C17H16N4O4S/c1-3-13-12(8-18)15(23)21-17(20-13)26-9-14(22)19-11-6-4-5-10(7-11)16(24)25-2/h4-7H,3,9H2,1-2H3,(H,19,22)(H,20,21,23)