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

Systemtic Name: 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-methyl-benzoic acid Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H16BrNO3S/c1-10-7-12(17(21)22)3-5-14(10)19-16(20)9-23-15-6-4-13(18)8-11(15)2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)