1-[3-(4-fluorophenyl)carbothioylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-fluorophenyl)carbothioylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(4-fluorobenzenecarbothioyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[(4-fluorophenyl)-sulfanylidenemethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(4-fluorobenzenecarbothioyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(4-fluorothiobenzoyl)thio]-2-methyl-propanoyl]proline Formula: C16H18FNO3S2 MolecularWeight: 355.447423

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=S)C1=CC=C(C=C1)F)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSC(=S)C1=CC=C(C=C1)F)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H18FNO3S2/c1-10(14(19)18-8-2-3-13(18)15(20)21)9-23-16(22)11-4-6-12(17)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,21)