ethyl 3-bromanyl-4-(3-methylsulfanylpropylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(3-methylsulfanylpropylamino)benzoate Openeye Name: ethyl 3-bromo-4-(3-methylsulfanylpropylamino)benzoate CAS Name: 3-bromo-4-[3-(methylthio)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3-methylsulfanylpropylamino)benzoate Traditional Name: 3-bromo-4-[3-(methylthio)propylamino]benzoic acid ethyl ester Formula: C13H18BrNO2S MolecularWeight: 332.25652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NCCCSC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NCCCSC)Br

InChI

InChI=1S/C13H18BrNO2S/c1-3-17-13(16)10-5-6-12(11(14)9-10)15-7-4-8-18-2/h5-6,9,15H,3-4,7-8H2,1-2H3