2-diethylaminoethyl 2-(1-adamantylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 2-(1-adamantylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O3S/c1-3-28(4-2)7-8-31-22(29)19-5-6-20-21(12-19)32-24(26-20)27-23(30)25-13-16-9-17(14-25)11-18(10-16)15-25/h5-6,12,16-18H,3-4,7-11,13-15H2,1-2H3,(H,26,27,30)