4-[[(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-isopropoxy-5-methoxy-benzothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-isopropoxy-5-methoxy-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-12(2)27-18-16-10-15(26-3)8-9-17(16)28-19(18)20(23)22-11-13-4-6-14(7-5-13)21(24)25/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,25)