2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-16(18-10-11-22-13-6-2-1-3-7-13)12-23-15-9-5-4-8-14(15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21)