3-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzothiophene-2-carboxamide Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17ClN2O5S/c1-26-14-9-11(13(22(24)25)10-15(14)27-2)7-8-21-19(23)18-17(20)12-5-3-4-6-16(12)28-18/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)