3-[(6-methyl-2-phenyl-1-benzothiophen-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-methyl-2-phenyl-1-benzothiophen-4-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-2-phenyl-benzothiophen-4-yl)amino]benzoic acid CAS Name: 3-[(6-methyl-2-phenyl-1-benzothiophen-4-yl)amino]benzoic acid IUPAC Name: 3-[(6-methyl-2-phenyl-1-benzothiophen-4-yl)amino]benzoic acid Traditional Name: 3-[(6-methyl-2-phenyl-benzothiophen-4-yl)amino]benzoic acid Formula: C22H17NO2S MolecularWeight: 359.44088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(SC2=C1)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C2C=C(SC2=C1)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17NO2S/c1-14-10-19(23-17-9-5-8-16(12-17)22(24)25)18-13-20(26-21(18)11-14)15-6-3-2-4-7-15/h2-13,23H,1H3,(H,24,25)