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

Systemtic Name: 2-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(1-methylhexylamino)ethyl]thio]benzoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-3-4-5-8-12(2)17-15(18)11-21-14-10-7-6-9-13(14)16(19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)(H,19,20)