3-azanyl-N-(3-chloranyl-4-methyl-phenyl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-methyl-phenyl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-chloro-4-methyl-phenyl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-chloro-4-methylphenyl)-6-ethoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(3-chloro-4-methylphenyl)-6-ethoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-chloro-4-methyl-phenyl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-3-27-14-6-7-17-12(8-14)9-15-18(23)19(28-21(15)25-17)20(26)24-13-5-4-11(2)16(22)10-13/h4-10H,3,23H2,1-2H3,(H,24,26)