3-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]benzoic acid Formula: C14H12ClNO3S2 MolecularWeight: 341.83298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO3S2/c15-12-5-4-11(21-12)7-20-8-13(17)16-10-3-1-2-9(6-10)14(18)19/h1-6H,7-8H2,(H,16,17)(H,18,19)