5-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(2-benzylsulfanylacetyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(2-benzylsulfanylacetyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(benzylthio)acetyl]amino]-2-thenoic acid Formula: C14H13NO3S2 MolecularWeight: 307.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C14H13NO3S2/c16-12(9-19-8-10-4-2-1-3-5-10)15-13-7-6-11(20-13)14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)