(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCCC2

InChI

InChI=1S/C16H20BrNO3S/c1-11-8-14(12(2)7-13(11)17)22-10-16(20)21-9-15(19)18-5-3-4-6-18/h7-8H,3-6,9-10H2,1-2H3