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

Systemtic Name: ethyl 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C

InChI

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