ethyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C13H16BrNO3S/c1-3-18-13(17)8-19-7-12(16)15-10-4-5-11(14)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,16)