3-azanyl-N-(1,3-benzodioxol-5-yl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-yl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O4S/c1-2-26-13-4-5-15-11(7-13)8-14-18(22)19(29-21(14)24-15)20(25)23-12-3-6-16-17(9-12)28-10-27-16/h3-9H,2,10,22H2,1H3,(H,23,25)