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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H19NO2S/c1-2-4-15-5-3-6-17-13-20(26-21(15)17)19-12-11-18(23-19)14-7-9-16(10-8-14)22(24)25/h3,5-13,23H,2,4H2,1H3,(H,24,25)