cyclooctyl 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: cyclooctyl 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cyclooctyl 3-methyl-4-oxo-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 4-keto-3-methyl-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OC4CCCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OC4CCCCCCC4

InChI

InChI=1S/C22H27NO3S/c1-14-20-17(12-15(13-18(20)24)19-10-7-11-27-19)23-21(14)22(25)26-16-8-5-3-2-4-6-9-16/h7,10-11,15-16,23H,2-6,8-9,12-13H2,1H3