[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H21N3O3S/c21-15(18-13-7-4-8-14-17(13)20-24-19-14)11-23-16(22)10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H,18,21)