methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C15H17N3O3S/c1-18-9-8-16-15(18)22-10-7-13(19)17-12-6-4-3-5-11(12)14(20)21-2/h3-6,8-9H,7,10H2,1-2H3,(H,17,19)