2-bromanyl-6-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-benzoate

Systemtic Name: 2-bromanyl-6-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-benzoate Openeye Name: 2-bromo-6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methyl-benzoate CAS Name: 2-bromo-6-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 2-bromo-6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbenzoate Traditional Name: 2-bromo-6-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-methyl-benzoate Formula: C16H12BrClNO3S- MolecularWeight: 413.69338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO3S/c1-9-2-7-12(14(15(9)17)16(21)22)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