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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC=CO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC=CO4)OC

InChI

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