3-methyl-5-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[[2-(2-thienylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[[2-(2-thenylthio)acetyl]amino]-2-thenoic acid Formula: C13H13NO3S3 MolecularWeight: 327.44222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S3/c1-8-5-11(20-12(8)13(16)17)14-10(15)7-18-6-9-3-2-4-19-9/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)