tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-(m-tolyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(ethylthio)methyl]-3-(3-methylphenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoate Traditional Name: 2-[[2-[(ethylthio)methyl]-3-(m-tolyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC(=C1)C)CSCC

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC(=C1)C)CSCC

InChI

InChI=1S/C23H37NO3S/c1-7-9-13-20(22(26)27-23(4,5)6)24-21(25)19(16-28-8-2)15-18-12-10-11-17(3)14-18/h10-12,14,19-20H,7-9,13,15-16H2,1-6H3,(H,24,25)