N-[2-(2-bromanyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-(2-bromanyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitro-benzamide Openeye Name: N-[2-(2-bromo-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitro-benzamide CAS Name: N-[2-(2-bromo-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(2-bromo-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[2-(2-bromo-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-nitro-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(N1CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)SC(=C2)Br

Isomeric SMILES

CC1CC2=C(C(N1CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)SC(=C2)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-11-9-14-10-16(19)26-17(14)12(2)21(11)8-7-20-18(23)13-3-5-15(6-4-13)22(24)25/h3-6,10-12H,7-9H2,1-2H3,(H,20,23)