2-[2-(octylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(octylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(octylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(octylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(octylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(octylamino)ethyl]thio]benzoic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C17H25NO3S/c1-2-3-4-5-6-9-12-18-16(19)13-22-15-11-8-7-10-14(15)17(20)21/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,18,19)(H,20,21)