methyl 3-azanyl-5-(4-methylphenyl)sulfanyl-pentanoate

Systemtic Name: methyl 3-azanyl-5-(4-methylphenyl)sulfanyl-pentanoate Openeye Name: methyl 3-amino-5-(p-tolylsulfanyl)pentanoate CAS Name: 3-amino-5-[(4-methylphenyl)thio]pentanoic acid methyl ester IUPAC Name: methyl 3-amino-5-(4-methylphenyl)sulfanylpentanoate Traditional Name: 3-amino-5-(p-tolylthio)valeric acid methyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(CC(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(CC(=O)OC)N

InChI

InChI=1S/C13H19NO2S/c1-10-3-5-12(6-4-10)17-8-7-11(14)9-13(15)16-2/h3-6,11H,7-9,14H2,1-2H3