2-(5-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoic acid

Systemtic Name: 2-(5-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoic acid Openeye Name: 2-(5-chloro-2-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)acetic acid CAS Name: 2-[[5-chloro-2-(1-pyrrolyl)phenyl]thio]-2-(4-methoxyphenyl)acetic acid IUPAC Name: 2-(5-chloro-2-pyrrol-1-ylphenyl)sulfanyl-2-(4-methoxyphenyl)acetic acid Traditional Name: 2-[(5-chloro-2-pyrrol-1-yl-phenyl)thio]-2-(4-methoxyphenyl)acetic acid Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC(=C2)Cl)N3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC(=C2)Cl)N3C=CC=C3

InChI

InChI=1S/C19H16ClNO3S/c1-24-15-7-4-13(5-8-15)18(19(22)23)25-17-12-14(20)6-9-16(17)21-10-2-3-11-21/h2-12,18H,1H3,(H,22,23)