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

Systemtic Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-14-3-2-11(8-13(14)20(23)24)17(22)18-9-16(21)19-6-4-15-12(10-19)5-7-26-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,18,22)