methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO3S/c1-10-8-11(16)5-6-13(10)21-9-14(18)17-7-3-4-12(17)15(19)20-2/h5-6,8,12H,3-4,7,9H2,1-2H3