6-chloranyl-5-(2-methylphenyl)carbothioyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-chloranyl-5-(2-methylphenyl)carbothioyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-chloro-5-(2-methylbenzenecarbothioyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-chloro-5-[(2-methylphenyl)-sulfanylidenemethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-chloro-5-(2-methylbenzenecarbothioyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-chloro-5-(2-methylthiobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

InChI

InChI=1S/C16H14ClNO2S/c1-9-4-2-3-5-10(9)15(21)14-12(17)8-13-11(16(19)20)6-7-18(13)14/h2-5,8,11H,6-7H2,1H3,(H,19,20)