2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl]thio]benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-24-14-8-12(9-15(25-2)18(14)26-3)10-20-17(21)11-27-16-7-5-4-6-13(16)19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)