2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]benzoic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H20N2O3S/c22-18(13-25-17-6-2-1-5-16(17)19(23)24)20-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)(H,23,24)