(2R)-5-(furan-3-ylmethyl)-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: (2R)-5-(furan-3-ylmethyl)-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-5-(3-furylmethyl)-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-5-(3-furanylmethyl)-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-5-(furan-3-ylmethyl)-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-5-(3-furfuryl)-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=COC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H]2CCN(C3=CC=CC=C3S2)CC4=COC=C4)OC

InChI

InChI=1S/C22H23NO2S/c1-16-13-18(7-8-20(16)24-2)21-9-11-23(14-17-10-12-25-15-17)19-5-3-4-6-22(19)26-21/h3-8,10,12-13,15,21H,9,11,14H2,1-2H3/t21-/m1/s1