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

Systemtic Name: 2-methylpropyl 4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid isobutyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C17H19N3O4S/c1-11(2)9-24-16(23)12-3-5-13(6-4-12)19-15(22)10-25-17-18-8-7-14(21)20-17/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,18,20,21)