3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[3-[(methylthio)methyl]benzoyl]amino]-2-thenoic acid Formula: C14H13NO3S2 MolecularWeight: 307.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C14H13NO3S2/c1-19-8-9-3-2-4-10(7-9)13(16)15-11-5-6-20-12(11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)