2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(quinolin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(quinolin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(6-quinolylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(6-quinolinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(quinolin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-8-methoxy-5-(6-quinolylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C27H24N2O3S/c1-30-21-6-8-23-27(15-21)33-26(20-5-9-24-25(14-20)32-17-31-24)10-12-29(23)16-18-4-7-22-19(13-18)3-2-11-28-22/h2-9,11,13-15,26H,10,12,16-17H2,1H3