methyl 4-(3-nitro-5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)butanoate

Systemtic Name: methyl 4-(3-nitro-5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)butanoate Openeye Name: methyl 4-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)butanoate CAS Name: 4-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)butanoate Traditional Name: 4-(5-keto-3-nitro-4,6,7,8-tetrahydrothien[3,2-b]azepin-2-yl)butyric acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(C2=C(S1)CCCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCC1=C(C2=C(S1)CCCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-20-11(17)7-3-5-9-13(15(18)19)12-8(21-9)4-2-6-10(16)14-12/h2-7H2,1H3,(H,14,16)