methyl 3-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CCO

InChI

InChI=1S/C17H19N3O5S/c1-10-13(6-7-21)15(23)20-17(18-10)26-9-14(22)19-12-5-3-4-11(8-12)16(24)25-2/h3-5,8,21H,6-7,9H2,1-2H3,(H,19,22)(H,18,20,23)