4-[2-[ethanoyl-[(3-oxidanyl-4-thiophen-2-yl-butyl)amino]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[ethanoyl-[(3-oxidanyl-4-thiophen-2-yl-butyl)amino]amino]ethyl]benzoic acid Openeye Name: 4-[2-[acetyl-[[3-hydroxy-4-(2-thienyl)butyl]amino]amino]ethyl]benzoic acid CAS Name: 4-[2-[acetyl-[(3-hydroxy-4-thiophen-2-ylbutyl)amino]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[acetyl-[(3-hydroxy-4-thiophen-2-ylbutyl)amino]amino]ethyl]benzoic acid Traditional Name: 4-[2-[acetyl-[[3-hydroxy-4-(2-thienyl)butyl]amino]amino]ethyl]benzoic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=CS2)O

Isomeric SMILES

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=CS2)O

InChI

InChI=1S/C19H24N2O4S/c1-14(22)21(11-9-15-4-6-16(7-5-15)19(24)25)20-10-8-17(23)13-18-3-2-12-26-18/h2-7,12,17,20,23H,8-11,13H2,1H3,(H,24,25)