2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(cyclopropylmethyl)-8-methyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5CC5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5CC5

InChI

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