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

Systemtic Name: [4-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate hydrochloride Openeye Name: [4-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]acetyl]-2-methylsulfanyl-phenyl] acetate hydrochloride CAS Name: acetic acid [4-[2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-oxoethyl]-2-(methylthio)phenyl] ester hydrochloride IUPAC Name: [4-[2-[(2-methyl-4-phenylbutan-2-yl)amino]acetyl]-2-methylsulfanylphenyl] acetate hydrochloride Traditional Name: acetic acid [4-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]acetyl]-2-(methylthio)phenyl] ester hydrochloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CCC2=CC=CC=C2)SC.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CCC2=CC=CC=C2)SC.Cl

InChI

InChI=1S/C22H27NO3S.ClH/c1-16(24)26-20-11-10-18(14-21(20)27-4)19(25)15-23-22(2,3)13-12-17-8-6-5-7-9-17;/h5-11,14,23H,12-13,15H2,1-4H3;1H