tert-butyl 3-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylate Openeye Name: tert-butyl 3-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylate CAS Name: 3-[(cyclohexylamino)-oxomethyl]-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylate Traditional Name: 3-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-2-carboxylic acid tert-butyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C2CCN=C3C2(S1)C=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1C(C2CCN=C3C2(S1)C=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C23H32N2O3S/c1-22(2,3)28-21(27)19-18(20(26)25-15-9-5-4-6-10-15)16-12-14-24-17-11-7-8-13-23(16,17)29-19/h7-8,11,13,15-16,18-19H,4-6,9-10,12,14H2,1-3H3,(H,25,26)