3-[3-[3-[2-(4-methylsulfanylphenyl)carbonylpyrrol-1-yl]propoxy]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-[3-[2-(4-methylsulfanylphenyl)carbonylpyrrol-1-yl]propoxy]phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-[3-[2-(4-methylsulfanylbenzoyl)pyrrol-1-yl]propoxy]phenyl]thiophene-2-carboxylic acid CAS Name: 3-[3-[3-[2-[[4-(methylthio)phenyl]-oxomethyl]-1-pyrrolyl]propoxy]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-[3-[2-(4-methylsulfanylbenzoyl)pyrrol-1-yl]propoxy]phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-[3-[2-[4-(methylthio)benzoyl]pyrrol-1-yl]propoxy]phenyl]-2-thenoic acid Formula: C26H23NO4S2 MolecularWeight: 477.59512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=CC=CN2CCCOC3=CC=CC(=C3)C4=C(SC=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=CC=CN2CCCOC3=CC=CC(=C3)C4=C(SC=C4)C(=O)O

InChI

InChI=1S/C26H23NO4S2/c1-32-21-10-8-18(9-11-21)24(28)23-7-3-13-27(23)14-4-15-31-20-6-2-5-19(17-20)22-12-16-33-25(22)26(29)30/h2-3,5-13,16-17H,4,14-15H2,1H3,(H,29,30)