N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-nitro-3-thienyl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrothiophen-3-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(2-nitro-3-thienyl)thio]acetamide Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O5S2/c1-22-12-4-3-11(9-13(12)23-2)5-7-17-15(19)10-25-14-6-8-24-16(14)18(20)21/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,19)