ethyl 3-[2-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SC)C

InChI

InChI=1S/C17H19N3O4S/c1-4-24-16(23)12-6-5-7-13(9-12)19-14(21)10-20-15(22)8-11(2)18-17(20)25-3/h5-9H,4,10H2,1-3H3,(H,19,21)