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

Systemtic Name: methyl 3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O4S/c1-3-5-12-9-14(21)20-17(19-12)25-10-15(22)18-13-7-4-6-11(8-13)16(23)24-2/h4,6-9H,3,5,10H2,1-2H3,(H,18,22)(H,19,20,21)