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

Systemtic Name: 4-[5-(7-ethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-ethylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-ethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-ethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-ethylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17NO2S/c1-2-13-4-3-5-16-12-19(25-20(13)16)18-11-10-17(22-18)14-6-8-15(9-7-14)21(23)24/h3-12,22H,2H2,1H3,(H,23,24)