4-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(1,4-dimethylpentylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(1,4-dimethylpentylamino)-2-keto-ethyl]thio]benzoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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