2-(3-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(3-chloro-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[3-chloro-2-(1-pyrrolyl)phenyl]thio]-2-phenylacetic acid IUPAC Name: 2-(3-chloro-2-pyrrol-1-ylphenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-chloro-2-pyrrol-1-yl-phenyl)thio]-2-phenyl-acetic acid Formula: C18H14ClNO2S MolecularWeight: 343.82726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC=C2)Cl)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC=C2)Cl)N3C=CC=C3

InChI

InChI=1S/C18H14ClNO2S/c19-14-9-6-10-15(16(14)20-11-4-5-12-20)23-17(18(21)22)13-7-2-1-3-8-13/h1-12,17H,(H,21,22)