2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(2-chloro-6-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)phenyl]thio]-2-phenylacetic acid IUPAC Name: 2-(2-chloro-6-pyrrol-1-ylphenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(2-chloro-6-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=C2Cl)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=C2Cl)N3C=CC=C3

InChI

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