2-[1-methyl-4-methylsulfanyl-5-(4-propylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-4-methylsulfanyl-5-(4-propylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-methyl-4-methylsulfanyl-5-(4-propylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[1-methyl-4-(methylthio)-5-[oxo-(4-propylphenyl)methyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-methyl-4-methylsulfanyl-5-(4-propylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1-methyl-4-(methylthio)-5-(4-propylbenzoyl)pyrrol-2-yl]acetic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

InChI

InChI=1S/C18H21NO3S/c1-4-5-12-6-8-13(9-7-12)18(22)17-15(23-3)10-14(19(17)2)11-16(20)21/h6-10H,4-5,11H2,1-3H3,(H,20,21)