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

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c1-10-7-11(15)3-4-12(10)21-9-14(18)20-8-13(17)16-5-6-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)