methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H18BrNO3S/c1-11-9-16(12(2)8-14(11)19)24-10-17(21)20-15-7-5-4-6-13(15)18(22)23-3/h4-9H,10H2,1-3H3,(H,20,21)