ethyl 5-[2-(1-adamantyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1-adamantyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(1-adamantyl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO3S/c1-2-27-22(26)20-9-17-8-18(3-4-19(17)28-20)24-21(25)13-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,8-9,14-16H,2,5-7,10-13H2,1H3,(H,24,25)