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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=CS3)C4=CC5=C(C=C4)OCO5

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/h1-10,20H,11-12H2