ethyl 3-bromanyl-4-(2-propan-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(2-propan-2-ylsulfanylethanoylamino)benzoate Openeye Name: ethyl 3-bromo-4-[(2-isopropylsulfanylacetyl)amino]benzoate CAS Name: 3-bromo-4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(2-propan-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-bromo-4-[[2-(isopropylthio)acetyl]amino]benzoic acid ethyl ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S/c1-4-19-14(18)10-5-6-12(11(15)7-10)16-13(17)8-20-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,17)