[4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate hydrochloride

Systemtic Name: [4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate hydrochloride Openeye Name: [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]acetyl]-2-methylsulfanyl-phenyl] acetate hydrochloride CAS Name: acetic acid [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-1-oxoethyl]-2-(methylthio)phenyl] ester hydrochloride IUPAC Name: [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]acetyl]-2-methylsulfanylphenyl] acetate hydrochloride Traditional Name: acetic acid [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]acetyl]-2-(methylthio)phenyl] ester hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CC2=CC=CC=C2)SC.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CC2=CC=CC=C2)SC.Cl

InChI

InChI=1S/C21H25NO3S.ClH/c1-15(23)25-19-11-10-17(12-20(19)26-4)18(24)14-22-21(2,3)13-16-8-6-5-7-9-16;/h5-12,22H,13-14H2,1-4H3;1H