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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(SC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C=C(SC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

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