methyl 4-methyl-3-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(NC(=S)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(NC(=S)NC2=O)C

InChI

InChI=1S/C17H19N3O4S/c1-9-4-5-11(16(23)24-3)8-13(9)19-14(21)7-6-12-10(2)18-17(25)20-15(12)22/h4-5,8H,6-7H2,1-3H3,(H,19,21)(H2,18,20,22,25)