2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C21H23NO2S MolecularWeight: 353.47782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(CCN2CC3CC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(CCN2CC3CC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23NO2S/c1-14-3-2-4-20-21(14)22(12-15-5-6-15)10-9-19(25-20)16-7-8-17-18(11-16)24-13-23-17/h2-4,7-8,11,15,19H,5-6,9-10,12-13H2,1H3