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

Systemtic Name: ethyl 3-[2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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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)OCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-14-13(9-19)16(24)22-18(21-14)27-10-15(23)20-12-7-5-6-11(8-12)17(25)26-4-2/h5-8H,3-4,10H2,1-2H3,(H,20,23)(H,21,22,24)