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

Systemtic Name: methyl 3-(3-nitro-5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)propanoate Openeye Name: methyl 3-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)propanoate CAS Name: 3-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-nitro-5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)propanoate Traditional Name: 3-(5-keto-3-nitro-4,6,7,8-tetrahydrothien[3,2-b]azepin-2-yl)propionic acid methyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C2=C(S1)CCCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=C(C2=C(S1)CCCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-19-10(16)6-5-8-12(14(17)18)11-7(20-8)3-2-4-9(15)13-11/h2-6H2,1H3,(H,13,15)