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

Systemtic Name: ethyl 3-[(4-bromanyl-2-methyl-phenyl)amino]-2-methylsulfanyl-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(4-bromo-2-methyl-anilino)-2-methylsulfanyl-3-oxo-propanoate CAS Name: 3-(4-bromo-2-methylanilino)-2-(methylthio)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-bromo-2-methylanilino)-2-methylsulfanyl-3-oxopropanoate Traditional Name: 3-(4-bromo-2-methyl-anilino)-3-keto-2-(methylthio)propionic acid ethyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC1=C(C=C(C=C1)Br)C)SC

Isomeric SMILES

CCOC(=O)C(C(=O)NC1=C(C=C(C=C1)Br)C)SC

InChI

InChI=1S/C13H16BrNO3S/c1-4-18-13(17)11(19-3)12(16)15-10-6-5-9(14)7-8(10)2/h5-7,11H,4H2,1-3H3,(H,15,16)