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

Systemtic Name: 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8(2)13-11(14)7-17-10-5-3-9(4-6-10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)