propyl 2-[2-(1-adamantyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[2-(1-adamantyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33NO3S/c1-2-7-28-23(27)21-18-5-3-4-6-19(18)29-22(21)25-20(26)14-24-11-15-8-16(12-24)10-17(9-15)13-24/h15-17H,2-14H2,1H3,(H,25,26)