2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanylbenzoic acid Openeye Name: 2-(3-amino-2-methyl-3-oxo-propyl)sulfanylbenzoic acid CAS Name: 2-[(3-amino-2-methyl-3-oxopropyl)thio]benzoic acid IUPAC Name: 2-(3-amino-2-methyl-3-oxopropyl)sulfanylbenzoic acid Traditional Name: 2-[(3-amino-3-keto-2-methyl-propyl)thio]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1C(=O)O)C(=O)N

Isomeric SMILES

CC(CSC1=CC=CC=C1C(=O)O)C(=O)N

InChI

InChI=1S/C11H13NO3S/c1-7(10(12)13)6-16-9-5-3-2-4-8(9)11(14)15/h2-5,7H,6H2,1H3,(H2,12,13)(H,14,15)