propyl 2-(1-adamantylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propyl 2-(1-adamantylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-(adamantane-1-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(adamantane-1-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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=C1CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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