[1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate

Systemtic Name: [1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate Openeye Name: [1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pent-4-enoate CAS Name: 4-pentenoic acid [1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pent-4-enoate Traditional Name: pent-4-enoic acid [1-but-3-enyl-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C3CCCCCC3)[O-])CCC=C

Isomeric SMILES

C=CCCC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C3CCCCCC3)[O-])CCC=C

InChI

InChI=1S/C21H32N4O3S/c1-3-5-13-19(26)28-18-15-24(14-6-4-2)16-25(18,27)21-23-22-20(29-21)17-11-9-7-8-10-12-17/h3-4,17-18H,1-2,5-16H2