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

Systemtic Name: propyl 4-[2-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-9-25-17(24)13-5-7-14(8-6-13)20-15(22)11-21-16(23)10-12(2)19-18(21)26-3/h5-8,10H,4,9,11H2,1-3H3,(H,20,22)