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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-2-26-18(24)15-3-4-16-17(8-15)27-20(22-16)23-19(25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,22,23,25)