ethyl 3-bromanyl-4-(2-methylsulfanylethanoylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(2-methylsulfanylethanoylamino)benzoate Openeye Name: ethyl 3-bromo-4-[(2-methylsulfanylacetyl)amino]benzoate CAS Name: 3-bromo-4-[[2-(methylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(2-methylsulfanylacetyl)amino]benzoate Traditional Name: 3-bromo-4-[[2-(methylthio)acetyl]amino]benzoic acid ethyl ester Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSC)Br

InChI

InChI=1S/C12H14BrNO3S/c1-3-17-12(16)8-4-5-10(9(13)6-8)14-11(15)7-18-2/h4-6H,3,7H2,1-2H3,(H,14,15)