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

Systemtic Name: N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-3-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12-10-14-6-9-25-17(14)13(2)20(12)8-7-19-18(22)15-4-3-5-16(11-15)21(23)24/h3-6,9,11-13H,7-8,10H2,1-2H3,(H,19,22)