3-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]-2-thenoic acid Formula: C12H12N2O3S3 MolecularWeight: 328.43028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O3S3/c1-7-13-8(5-20-7)4-18-6-10(15)14-9-2-3-19-11(9)12(16)17/h2-3,5H,4,6H2,1H3,(H,14,15)(H,16,17)