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

Systemtic Name: methyl 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-9-8-13(20)19-16(17-9)24-10(2)14(21)18-12-6-4-11(5-7-12)15(22)23-3/h4-8,10H,1-3H3,(H,18,21)(H,17,19,20)