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

Systemtic Name: ethyl 2-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C)CCO

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C)CCO

InChI

InChI=1S/C18H21N3O5S/c1-3-26-17(25)13-6-4-5-7-14(13)20-15(23)10-27-18-19-11(2)12(8-9-22)16(24)21-18/h4-7,22H,3,8-10H2,1-2H3,(H,20,23)(H,19,21,24)