4-[[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3,5-bis(methylsulfanyl)isothiazole-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3,5-bis(methylthio)-4-isothiazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3,5-bis(methylthio)isothiazole-4-carbonyl]amino]methyl]benzoic acid Formula: C14H14N2O3S3 MolecularWeight: 354.46756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NS1)SC)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=C(C(=NS1)SC)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3S3/c1-20-12-10(14(21-2)22-16-12)11(17)15-7-8-3-5-9(6-4-8)13(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)