3-(dithiophen-2-ylmethylamino)benzoic acid

Systemtic Name: 3-(dithiophen-2-ylmethylamino)benzoic acid Openeye Name: 3-[bis(2-thienyl)methylamino]benzoic acid CAS Name: 3-(dithiophen-2-ylmethylamino)benzoic acid IUPAC Name: 3-(dithiophen-2-ylmethylamino)benzoic acid Traditional Name: 3-[bis(2-thienyl)methylamino]benzoic acid Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(C2=CC=CS2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(C2=CC=CS2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H13NO2S2/c18-16(19)11-4-1-5-12(10-11)17-15(13-6-2-8-20-13)14-7-3-9-21-14/h1-10,15,17H,(H,18,19)