methyl 3-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O3S/c1-11-8-15(18-10-17-11)23-7-6-14(20)19-13-5-3-4-12(9-13)16(21)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)