2-(1-adamantylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C20H25NO3S/c22-18(23)16-14-3-1-2-4-15(14)25-17(16)21-19(24)20-8-11-5-12(9-20)7-13(6-11)10-20/h11-13H,1-10H2,(H,21,24)(H,22,23)