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

Systemtic Name: 2-methylpropyl 4-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl 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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-4-14-9-16(23)22-19(21-14)27-11-17(24)20-15-7-5-13(6-8-15)18(25)26-10-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,20,24)(H,21,22,23)