N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N2O5S/c1-25-15-9-12(14(21(23)24)11-16(15)26-2)7-8-20-19(22)18-10-13-5-3-4-6-17(13)27-18/h9-11H,3-8H2,1-2H3,(H,20,22)