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

Systemtic Name: 4-[5-(7-chloranyl-4-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-chloro-4-methyl-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-chloro-4-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-chloro-4-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-chloro-4-methyl-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C20H14ClNO2S MolecularWeight: 367.84866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO2S/c1-11-2-7-15(21)19-14(11)10-18(25-19)17-9-8-16(22-17)12-3-5-13(6-4-12)20(23)24/h2-10,22H,1H3,(H,23,24)