ethyl 3-bromanyl-4-(2-tert-butylsulfanylethanoylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(2-tert-butylsulfanylethanoylamino)benzoate Openeye Name: ethyl 3-bromo-4-[(2-tert-butylsulfanylacetyl)amino]benzoate CAS Name: 3-bromo-4-[[2-(tert-butylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(2-tert-butylsulfanylacetyl)amino]benzoate Traditional Name: 3-bromo-4-[[2-(tert-butylthio)acetyl]amino]benzoic acid ethyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3S/c1-5-20-14(19)10-6-7-12(11(16)8-10)17-13(18)9-21-15(2,3)4/h6-8H,5,9H2,1-4H3,(H,17,18)