methyl 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(2,5-dimethylphenyl)thio]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC2C(=O)OC

InChI

InChI=1S/C16H21NO3S/c1-11-6-7-12(2)14(9-11)21-10-15(18)17-8-4-5-13(17)16(19)20-3/h6-7,9,13H,4-5,8,10H2,1-3H3