4-[5-(7-propan-2-yl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(7-propan-2-yl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-isopropylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-propan-2-yl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-propan-2-yl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-isopropylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H19NO2S/c1-13(2)17-5-3-4-16-12-20(26-21(16)17)19-11-10-18(23-19)14-6-8-15(9-7-14)22(24)25/h3-13,23H,1-2H3,(H,24,25)