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

Systemtic Name: pentyl 2-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C18H21N3O4S/c1-2-3-6-11-25-17(24)13-7-4-5-8-14(13)20-16(23)12-26-18-19-10-9-15(22)21-18/h4-5,7-10H,2-3,6,11-12H2,1H3,(H,20,23)(H,19,21,22)