2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H20N2OS/c1-14-10-11-22(18-8-4-5-9-19(18)24-14)20(23)12-15-13-21-17-7-3-2-6-16(15)17/h2-9,13-14,21H,10-12H2,1H3/t14-/m0/s1