3-[1-(3-chloranyl-4-methyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(3-chloranyl-4-methyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(3-chloro-4-methyl-phenyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(3-chloro-4-methyl-phenyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)Cl

InChI

InChI=1S/C18H16ClNO2S/c1-12-4-5-14(11-15(12)19)20-13(7-9-18(21)22)6-8-16(20)17-3-2-10-23-17/h2-6,8,10-11H,7,9H2,1H3,(H,21,22)