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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H24N4O4S/c26-17(23-15-2-1-3-16-19(15)25-30-24-16)11-29-18(27)10-22-20(28)21-7-12-4-13(8-21)6-14(5-12)9-21/h1-3,12-14H,4-11H2,(H,22,28)(H,23,26)