4-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(3-bromophenyl)methylthio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(3-bromobenzyl)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)CSCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-11-7-13(17(21)22)5-6-15(11)19-16(20)10-23-9-12-3-2-4-14(18)8-12/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)