2-(5-methyl-2-methylsulfanyl-phenyl)indolizine-1-carboxylic acid

Systemtic Name: 2-(5-methyl-2-methylsulfanyl-phenyl)indolizine-1-carboxylic acid Openeye Name: 2-(5-methyl-2-methylsulfanyl-phenyl)indolizine-1-carboxylic acid CAS Name: 2-[5-methyl-2-(methylthio)phenyl]-1-indolizinecarboxylic acid IUPAC Name: 2-(5-methyl-2-methylsulfanylphenyl)indolizine-1-carboxylic acid Traditional Name: 2-[5-methyl-2-(methylthio)phenyl]indolizine-1-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC)C2=CN3C=CC=CC3=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC)C2=CN3C=CC=CC3=C2C(=O)O

InChI

InChI=1S/C17H15NO2S/c1-11-6-7-15(21-2)12(9-11)13-10-18-8-4-3-5-14(18)16(13)17(19)20/h3-10H,1-2H3,(H,19,20)