4-methyl-3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(2-thienylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-(2-thenylthio)acetyl]amino]benzoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC2=CC=CS2

InChI

InChI=1S/C15H15NO3S2/c1-10-4-5-11(15(18)19)7-13(10)16-14(17)9-20-8-12-3-2-6-21-12/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)