5-(2-phenethylsulfanylethanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(2-phenethylsulfanylethanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-[(2-phenethylsulfanylacetyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[1-oxo-2-(phenethylthio)ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(2-phenethylsulfanylacetyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(phenethylthio)acetyl]amino]-2-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3S2/c17-13(16-14-7-6-12(21-14)15(18)19)10-20-9-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,17)(H,18,19)