methyl 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylate Openeye Name: methyl 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylate CAS Name: 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylate Traditional Name: 13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzothiazepine-10-carboxylic acid methyl ester Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCSC4=CC=CC=C43)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCSC4=CC=CC=C43)C5CCCCC5

InChI

InChI=1S/C24H25NO2S/c1-27-24(26)17-11-12-18-20(15-17)25-13-14-28-21-10-6-5-9-19(21)23(25)22(18)16-7-3-2-4-8-16/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3