methyl 2-[(4-bromanyl-3-ethanethioyl-6-ethyl-2-methyl-phenyl)-ethyl-amino]propanoate

Systemtic Name: methyl 2-[(4-bromanyl-3-ethanethioyl-6-ethyl-2-methyl-phenyl)-ethyl-amino]propanoate Openeye Name: methyl 2-(4-bromo-3-ethanethioyl-N,6-diethyl-2-methyl-anilino)propanoate CAS Name: 2-[4-bromo-N,6-diethyl-2-methyl-3-(1-sulfanylideneethyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 2-(4-bromo-3-ethanethioyl-N,6-diethyl-2-methylanilino)propanoate Traditional Name: 2-(4-bromo-N,6-diethyl-2-methyl-3-thioacetyl-anilino)propionic acid methyl ester Formula: C17H24BrNO2S MolecularWeight: 386.34696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1N(CC)C(C)C(=O)OC)C)C(=S)C)Br

Isomeric SMILES

CCC1=CC(=C(C(=C1N(CC)C(C)C(=O)OC)C)C(=S)C)Br

InChI

InChI=1S/C17H24BrNO2S/c1-7-13-9-14(18)15(12(5)22)10(3)16(13)19(8-2)11(4)17(20)21-6/h9,11H,7-8H2,1-6H3