2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]-3-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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