2-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]thio]benzoic acid IUPAC Name: 2-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-18(2)16(19)15(12-8-4-3-5-9-12)22-14-11-7-6-10-13(14)17(20)21/h3-11,15H,1-2H3,(H,20,21)