1-[3-(benzenecarbonothioylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(benzenecarbonothioylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(benzenecarbonothioylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzenecarbonothioylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(benzenecarbonothioylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzenecarbonothioylthio)-2-methyl-propanoyl]proline Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S2/c1-11(10-22-16(21)12-6-3-2-4-7-12)14(18)17-9-5-8-13(17)15(19)20/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,20)