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

Systemtic Name: butan-2-yl 4-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: sec-butyl 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid sec-butyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-4-12(3)26-18(25)13-6-8-15(9-7-13)20-17(24)11-27-19-21-14(5-2)10-16(23)22-19/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,21,22,23)