ethyl 3-(carbamothioylamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate

Systemtic Name: ethyl 3-(carbamothioylamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate Openeye Name: ethyl 3-(carbamothioylamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate CAS Name: 3-(carbamothioylamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(carbamothioylamino)-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate Traditional Name: 3-thioureido-1-azabicyclo[2.2.2]oct-2-ene-2-carboxylic acid ethyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2CCN1CC2)NC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(C2CCN1CC2)NC(=S)N

InChI

InChI=1S/C11H17N3O2S/c1-2-16-10(15)9-8(13-11(12)17)7-3-5-14(9)6-4-7/h7H,2-6H2,1H3,(H3,12,13,17)