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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

InChI

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