[2-methylsulfanyl-4-[2-(1-phenylpropan-2-ylamino)ethanoyl]phenyl] ethanoate hydrochloride

Systemtic Name: [2-methylsulfanyl-4-[2-(1-phenylpropan-2-ylamino)ethanoyl]phenyl] ethanoate hydrochloride Openeye Name: [4-[2-[(1-methyl-2-phenyl-ethyl)amino]acetyl]-2-methylsulfanyl-phenyl] acetate hydrochloride CAS Name: acetic acid [2-(methylthio)-4-[1-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl] ester hydrochloride IUPAC Name: [2-methylsulfanyl-4-[2-(1-phenylpropan-2-ylamino)acetyl]phenyl] acetate hydrochloride Traditional Name: acetic acid [4-[2-[(1-methyl-2-phenyl-ethyl)amino]acetyl]-2-(methylthio)phenyl] ester hydrochloride Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Cl

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Cl

InChI

InChI=1S/C20H23NO3S.ClH/c1-14(11-16-7-5-4-6-8-16)21-13-18(23)17-9-10-19(24-15(2)22)20(12-17)25-3;/h4-10,12,14,21H,11,13H2,1-3H3;1H