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

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H23NO3S/c19-16(18-13-8-4-2-1-3-5-9-13)12-22-15-11-7-6-10-14(15)17(20)21/h6-7,10-11,13H,1-5,8-9,12H2,(H,18,19)(H,20,21)