4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[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=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-4-5-6-12(2)17-15(18)11-21-14-9-7-13(8-10-14)16(19)20/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)(H,19,20)