3-(thiophen-2-ylmethylamino)phthalic acid

Systemtic Name: 3-(thiophen-2-ylmethylamino)phthalic acid Openeye Name: 3-(2-thienylmethylamino)phthalic acid CAS Name: 3-(thiophen-2-ylmethylamino)phthalic acid IUPAC Name: 3-(thiophen-2-ylmethylamino)phthalic acid Traditional Name: 3-(2-thenylamino)phthalic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NCC2=CC=CS2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NCC2=CC=CS2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO4S/c15-12(16)9-4-1-5-10(11(9)13(17)18)14-7-8-3-2-6-19-8/h1-6,14H,7H2,(H,15,16)(H,17,18)