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

Systemtic Name: N-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-keto-propyl]-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC=C2

Isomeric SMILES

CCC1C2=C(CCN1C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC=C2

InChI

InChI=1S/C19H21N3O4S/c1-2-16-15-9-12-27-17(15)8-11-21(16)18(23)7-10-20-19(24)13-3-5-14(6-4-13)22(25)26/h3-6,9,12,16H,2,7-8,10-11H2,1H3,(H,20,24)