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

Systemtic Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c17-16(21)10-1-2-14(12(7-10)19(22)23)25-9-15(20)18-5-3-13-11(8-18)4-6-24-13/h1-2,4,6-7H,3,5,8-9H2,(H2,17,21)