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

Systemtic Name: (1S,6R)-6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-2-9-14-15-12(19-9)13-10(16)7-5-3-4-6-8(7)11(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,13,15,16)/t7-,8+/m1/s1