methyl 2-ethanoyl-5-[(phenylmethyl)-(2-phenylsulfanylethyl)amino]pentanoate

Systemtic Name: methyl 2-ethanoyl-5-[(phenylmethyl)-(2-phenylsulfanylethyl)amino]pentanoate Openeye Name: methyl 2-acetyl-5-[benzyl(2-phenylsulfanylethyl)amino]pentanoate CAS Name: 2-acetyl-5-[(phenylmethyl)-[2-(phenylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-acetyl-5-[benzyl(2-phenylsulfanylethyl)amino]pentanoate Traditional Name: 2-acetyl-5-[benzyl-[2-(phenylthio)ethyl]amino]valeric acid methyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCN(CCSC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C(CCCN(CCSC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H29NO3S/c1-19(25)22(23(26)27-2)14-9-15-24(18-20-10-5-3-6-11-20)16-17-28-21-12-7-4-8-13-21/h3-8,10-13,22H,9,14-18H2,1-2H3