[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C15H14BrNO3S/c1-10-7-11(16)4-5-14(10)21-9-15(19)20-8-13(18)12-3-2-6-17-12/h2-7,17H,8-9H2,1H3