4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(diisopropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(diisopropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

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