1-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(3,4-dimethylphenyl)thio]propanoyl]proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCCC2C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCCC2C(=O)O)C

InChI

InChI=1S/C16H21NO3S/c1-11-5-6-13(10-12(11)2)21-9-7-15(18)17-8-3-4-14(17)16(19)20/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,19,20)