3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol CAS Name: 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC(=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC(=CC=C4)O)OC

InChI

InChI=1S/C23H21NO3S/c1-26-20-11-10-16(13-21(20)27-2)23-14-19(15-6-5-7-17(25)12-15)24-18-8-3-4-9-22(18)28-23/h3-13,23,25H,14H2,1-2H3