6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C12H15N3O3S2 MolecularWeight: 313.3958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O

InChI

InChI=1S/C12H15N3O3S2/c1-2-19-12-15-14-11(20-12)13-9(16)7-5-3-4-6-8(7)10(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,13,14,16)