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

Systemtic Name: tert-butyl 2-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydrothieno[3,2-d]quinoline-2-carboxylate Openeye Name: tert-butyl 2-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydrothieno[3,2-d]quinoline-2-carboxylate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-3,3a,4,5-tetrahydrothieno[3,2-d]quinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydrothieno[3,2-d]quinoline-2-carboxylate Traditional Name: 2-(cyclohexylcarbamoyl)-3,3a,4,5-tetrahydrothieno[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)C1(CC2CCN=C3C2(S1)C=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1(CC2CCN=C3C2(S1)C=CC=C3)C(=O)NC4CCCCC4

InChI

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