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

Systemtic Name: [2-methylsulfanyl-4-[2-(4-phenylbutan-2-ylamino)ethanoyl]phenyl] ethanoate hydrochloride Openeye Name: [4-[2-[(1-methyl-3-phenyl-propyl)amino]acetyl]-2-methylsulfanyl-phenyl] acetate hydrochloride CAS Name: acetic acid [2-(methylthio)-4-[1-oxo-2-(4-phenylbutan-2-ylamino)ethyl]phenyl] ester hydrochloride IUPAC Name: [2-methylsulfanyl-4-[2-(4-phenylbutan-2-ylamino)acetyl]phenyl] acetate hydrochloride Traditional Name: acetic acid [4-[2-[(1-methyl-3-phenyl-propyl)amino]acetyl]-2-(methylthio)phenyl] ester hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Cl

InChI

InChI=1S/C21H25NO3S.ClH/c1-15(9-10-17-7-5-4-6-8-17)22-14-19(24)18-11-12-20(25-16(2)23)21(13-18)26-3;/h4-8,11-13,15,22H,9-10,14H2,1-3H3;1H