2-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C20H15NO2S2 MolecularWeight: 365.4686

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C20H15NO2S2/c1-2-5-19-14(4-1)21-15(18-6-3-9-24-18)11-20(25-19)13-7-8-16-17(10-13)23-12-22-16/h1-11,20-21H,12H2