N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OC1

InChI

InChI=1S/C20H16N2O5S/c23-19(13-3-5-15-17(9-13)25-7-1-6-24-15)22-20-21-14(10-28-20)12-2-4-16-18(8-12)27-11-26-16/h2-5,8-10H,1,6-7,11H2,(H,21,22,23)