4-[(2-chloranylthiophen-3-yl)methylamino]benzoic acid

Systemtic Name: 4-[(2-chloranylthiophen-3-yl)methylamino]benzoic acid Openeye Name: 4-[(2-chloro-3-thienyl)methylamino]benzoic acid CAS Name: 4-[(2-chloro-3-thiophenyl)methylamino]benzoic acid IUPAC Name: 4-[(2-chlorothiophen-3-yl)methylamino]benzoic acid Traditional Name: 4-[(2-chloro-3-thienyl)methylamino]benzoic acid Formula: C12H10ClNO2S MolecularWeight: 267.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=C(SC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=C(SC=C2)Cl

InChI

InChI=1S/C12H10ClNO2S/c13-11-9(5-6-17-11)7-14-10-3-1-8(2-4-10)12(15)16/h1-6,14H,7H2,(H,15,16)