6-chloranyl-5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-chloranyl-5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-chloro-5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-chloro-5-[[4-(methylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-chloro-5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-chloro-5-[4-(methylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Cl

InChI

InChI=1S/C16H14ClNO3S/c1-22-10-4-2-9(3-5-10)15(19)14-12(17)8-13-11(16(20)21)6-7-18(13)14/h2-5,8,11H,6-7H2,1H3,(H,20,21)