3-[[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-methoxy-3-(2-thienylmethylamino)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-methoxy-3-(thiophen-2-ylmethylamino)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-methoxy-3-(2-thenylamino)benzoyl]amino]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NCC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NCC3=CC=CS3

InChI

InChI=1S/C20H18N2O4S/c1-26-18-8-7-13(11-17(18)21-12-16-6-3-9-27-16)19(23)22-15-5-2-4-14(10-15)20(24)25/h2-11,21H,12H2,1H3,(H,22,23)(H,24,25)