3-[[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]methyl]benzoic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H19NO3S/c21-18(20-16-9-10-16)17(14-6-2-1-3-7-14)24-12-13-5-4-8-15(11-13)19(22)23/h1-8,11,16-17H,9-10,12H2,(H,20,21)(H,22,23)