2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoic acid

Systemtic Name: 2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoic acid Openeye Name: 2-(2-chloro-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)acetic acid CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)phenyl]thio]-2-(4-methoxyphenyl)acetic acid IUPAC Name: 2-(2-chloro-6-pyrrol-1-ylphenyl)sulfanyl-2-(4-methoxyphenyl)acetic acid Traditional Name: 2-[(2-chloro-6-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=C2Cl)N3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=C2Cl)N3C=CC=C3

InChI

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