methyl 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoylamino]benzoate hydrochloride

Systemtic Name: methyl 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoylamino]benzoate hydrochloride Openeye Name: methyl 4-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]amino]benzoate hydrochloride CAS Name: 4-[[2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]amino]benzoate hydrochloride Traditional Name: 4-[[2-(2-imidazolin-2-ylthio)acetyl]amino]benzoic acid methyl ester hydrochloride Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl

InChI

InChI=1S/C13H15N3O3S.ClH/c1-19-12(18)9-2-4-10(5-3-9)16-11(17)8-20-13-14-6-7-15-13;/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17);1H