3-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[[5-[(methylthio)methyl]-2-furoyl]amino]-2-thenoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-7-5-10(20-11(7)13(16)17)14-12(15)9-4-3-8(18-9)6-19-2/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)