2-(5-chloranyl-2-ethylsulfanyl-phenyl)indolizine-1-carboxylic acid

Systemtic Name: 2-(5-chloranyl-2-ethylsulfanyl-phenyl)indolizine-1-carboxylic acid Openeye Name: 2-(5-chloro-2-ethylsulfanyl-phenyl)indolizine-1-carboxylic acid CAS Name: 2-[5-chloro-2-(ethylthio)phenyl]-1-indolizinecarboxylic acid IUPAC Name: 2-(5-chloro-2-ethylsulfanylphenyl)indolizine-1-carboxylic acid Traditional Name: 2-[5-chloro-2-(ethylthio)phenyl]indolizine-1-carboxylic acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)Cl)C2=CN3C=CC=CC3=C2C(=O)O

Isomeric SMILES

CCSC1=C(C=C(C=C1)Cl)C2=CN3C=CC=CC3=C2C(=O)O

InChI

InChI=1S/C17H14ClNO2S/c1-2-22-15-7-6-11(18)9-12(15)13-10-19-8-4-3-5-14(19)16(13)17(20)21/h3-10H,2H2,1H3,(H,20,21)