2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]thiophene-3-carboxylic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3-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=C(C=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=CS2)C(=O)O

InChI

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