ethyl 5-(1-adamantylcarbonylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonylamino)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylamino)benzothiophene-2-carboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylamino)-1-benzothiophene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)benzothiophene-2-carboxylic acid ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO3S/c1-2-26-20(24)19-9-16-8-17(3-4-18(16)27-19)23-21(25)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,23,25)