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

Systemtic Name: 2-bromanyl-6-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 2-bromo-6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methyl-benzoic acid CAS Name: 2-bromo-6-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 2-bromo-6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbenzoic acid Traditional Name: 2-bromo-6-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-methyl-benzoic acid Formula: C16H13BrClNO3S MolecularWeight: 414.70132

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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)