4-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(3-isopropoxypropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11(2)20-9-3-8-16-14(17)10-21-13-6-4-12(5-7-13)15(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)