methyl 2-[2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-cyclopentyl-6-hydroxy-4-oxo-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-cyclopentyl-6-hydroxy-4-oxo-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-cyclopentyl-6-hydroxy-4-oxopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-cyclopentyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)O

InChI

InChI=1S/C19H21N3O5S/c1-27-18(26)13-8-4-5-9-14(13)20-16(24)11-28-19-21-15(23)10-17(25)22(19)12-6-2-3-7-12/h4-5,8-10,12,25H,2-3,6-7,11H2,1H3,(H,20,24)