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

Systemtic Name: ethyl 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoylamino]benzoate hydrochloride Openeye Name: ethyl 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 ethyl ester hydrochloride IUPAC Name: ethyl 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 ethyl ester hydrochloride Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S.ClH/c1-2-20-13(19)10-3-5-11(6-4-10)17-12(18)9-21-14-15-7-8-16-14;/h3-6H,2,7-9H2,1H3,(H,15,16)(H,17,18);1H