2-azanyl-4-methyl-pentanoic acid; isothiocyanatobenzene

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; isothiocyanatobenzene Openeye Name: 2-amino-4-methyl-pentanoic acid; isothiocyanatobenzene CAS Name: 2-amino-4-methylpentanoic acid; isothiocyanatobenzene IUPAC Name: 2-amino-4-methylpentanoic acid; isothiocyanatobenzene Traditional Name: 2-amino-4-methyl-valeric acid; isothiocyanatobenzene Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C7H5NS.C6H13NO2/c9-6-8-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9/h1-5H;4-5H,3,7H2,1-2H3,(H,8,9)