propan-2-yl 4-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C24H25N3O4S/c1-16(2)31-23(30)19-9-11-20(12-10-19)26-21(28)14-27-22(29)13-17(3)25-24(27)32-15-18-7-5-4-6-8-18/h4-13,16H,14-15H2,1-3H3,(H,26,28)