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

Systemtic Name: propan-2-yl 3-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CCO

InChI

InChI=1S/C19H23N3O5S/c1-11(2)27-18(26)13-5-4-6-14(9-13)21-16(24)10-28-19-20-12(3)15(7-8-23)17(25)22-19/h4-6,9,11,23H,7-8,10H2,1-3H3,(H,21,24)(H,20,22,25)