4-[5-[3,5-bis(chloranyl)-7-methyl-1-benzothiophen-2-yl]-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-[3,5-bis(chloranyl)-7-methyl-1-benzothiophen-2-yl]-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3,5-dichloro-7-methyl-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3,5-dichloro-7-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3,5-dichloro-7-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3,5-dichloro-7-methyl-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C20H13Cl2NO2S MolecularWeight: 402.29372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=C(S2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=C(S2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C20H13Cl2NO2S/c1-10-8-13(21)9-14-17(22)19(26-18(10)14)16-7-6-15(23-16)11-2-4-12(5-3-11)20(24)25/h2-9,23H,1H3,(H,24,25)