3-bromanyl-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: 3-bromanyl-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: 3-bromo-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-bromo-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-methylbenzoate IUPAC Name: 3-bromo-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-bromo-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-methyl-benzoate Formula: C16H12BrClNO3S- MolecularWeight: 413.69338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)[O-])NC(=O)CSC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)[O-])NC(=O)CSC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C16H13BrClNO3S/c1-9-2-7-12(16(21)22)15(14(9)17)19-13(20)8-23-11-5-3-10(18)4-6-11/h2-7H,8H2,1H3,(H,19,20)(H,21,22)/p-1