methyl 4-methyl-3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C15H15N3O3S/c1-10-4-5-11(14(20)21-2)8-12(10)18-13(19)9-22-15-16-6-3-7-17-15/h3-8H,9H2,1-2H3,(H,18,19)