3-chloranyl-N-(5-methoxy-2-morpholin-4-yl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(5-methoxy-2-morpholin-4-yl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(5-methoxy-2-morpholino-phenyl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-methoxy-2-(4-morpholinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(5-methoxy-2-morpholin-4-ylphenyl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(5-methoxy-2-morpholino-phenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O5S/c1-28-12-5-6-15(23-7-9-29-10-8-23)14(11-12)22-20(25)19-17(21)13-3-2-4-16(24(26)27)18(13)30-19/h2-6,11H,7-10H2,1H3,(H,22,25)