[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2CCCO2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2CCCO2

InChI

InChI=1S/C16H20BrNO4S/c1-11-7-12(17)4-5-14(11)23-10-16(20)22-9-15(19)18-8-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,18,19)