2-methoxy-5-[[[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-(thiophene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-(thiophene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-(2-thenoylamino)benzoyl]amino]methyl]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H18N2O5S/c1-28-17-9-4-13(11-16(17)21(26)27)12-22-19(24)14-5-7-15(8-6-14)23-20(25)18-3-2-10-29-18/h2-11H,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)