2-[[2-(2-carboxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-(2-carboxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-(2-carboxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[2-(2-carboxyethylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-(2-carboxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-(2-carboxyethylthio)-1,3-benzothiazol-6-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-15(22)7-8-26-18-20-13-6-5-10(9-14(13)27-18)19-16(23)11-3-1-2-4-12(11)17(24)25/h5-6,9,11-12H,1-4,7-8H2,(H,19,23)(H,21,22)(H,24,25)