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

Systemtic Name: 2-[2-(dipropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(dipropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(dipropylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(dipropylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(dipropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-9-16(10-4-2)14(17)11-20-13-8-6-5-7-12(13)15(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)