4-[(phenylmethylsulfanyl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(phenylmethylsulfanyl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(benzylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(phenylmethylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(benzylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(benzylthio)methyl]thiazole-2-carboxylic acid Formula: C12H11NO2S2 MolecularWeight: 265.35124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H11NO2S2/c14-12(15)11-13-10(8-17-11)7-16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)