3-azanyl-N-(1,3-benzodioxol-5-yl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-yl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C20H15N3O4S/c1-25-12-4-2-10-6-13-17(21)18(28-20(13)23-14(10)8-12)19(24)22-11-3-5-15-16(7-11)27-9-26-15/h2-8H,9,21H2,1H3,(H,22,24)