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

Systemtic Name: 2-[5-(4-ethoxyphenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-ethoxybenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-ethoxyphenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-ethoxybenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-ethoxybenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC

InChI

InChI=1S/C17H19NO4S/c1-4-22-13-7-5-11(6-8-13)17(21)16-14(23-3)9-12(18(16)2)10-15(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)