butyl 2-(1-adamantylcarbonylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-(1-adamantylcarbonylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(adamantane-1-carbonylamino)benzothiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(adamantane-1-carbonylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO3S/c1-2-3-8-28-22(26)20-18-6-4-5-7-19(18)29-21(20)25-23(27)24-12-15-9-16(13-24)11-17(10-15)14-24/h4-7,15-17H,2-3,8-14H2,1H3,(H,25,27)