[(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenyl-methanone

Systemtic Name: [(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenyl-methanone Openeye Name: [(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenyl-methanone CAS Name: [(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenylmethanone IUPAC Name: [(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenylmethanone Traditional Name: [(2S,3S)-7,8-dimethoxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl]-phenyl-methanone Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC(C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN[C@H]([C@H](S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H23NO3S/c1-27-19-13-18-15-25-22(16-9-5-3-6-10-16)24(29-21(18)14-20(19)28-2)23(26)17-11-7-4-8-12-17/h3-14,22,24-25H,15H2,1-2H3/t22-,24-/m0/s1