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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(furan-3-ylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(3-furylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(3-furanylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(furan-3-ylmethyl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(3-furfuryl)-6-methyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(CCN2CC3=COC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(CCN2CC3=COC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21NO3S/c1-15-3-2-4-21-22(15)23(12-16-8-10-24-13-16)9-7-20(27-21)17-5-6-18-19(11-17)26-14-25-18/h2-6,8,10-11,13,20H,7,9,12,14H2,1H3