5-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-3-methyl-2-thenoic acid Formula: C13H12ClNO3S3 MolecularWeight: 361.88728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CSCC2=CC=C(S2)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CSCC2=CC=C(S2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClNO3S3/c1-7-4-11(21-12(7)13(17)18)15-10(16)6-19-5-8-2-3-9(14)20-8/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18)