2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1-methylbutylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(pentan-2-ylamino)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(1-methylbutylamino)ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(C)NC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-3-6-10(2)15-13(16)9-19-12-8-5-4-7-11(12)14(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16)(H,17,18)