5-(4-methylphenyl)carbothioyl-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)carbothioyl-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-methylbenzenecarbothioyl)-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-methylphenyl)-sulfanylidenemethyl]-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-methylbenzenecarbothioyl)-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-mesyl-5-(4-methylthiobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S2/c1-10-3-5-11(6-4-10)16(23)15-14(24(2,21)22)9-13-12(17(19)20)7-8-18(13)15/h3-6,9,12H,7-8H2,1-2H3,(H,19,20)