3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(5-nitro-2-furyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(5-nitro-2-furanyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[(5-nitro-2-furyl)methylene]thiazolidine-2,4-quinone Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C16H17N3O6S/c20-13(17-7-3-1-2-4-8-17)10-18-15(21)12(26-16(18)22)9-11-5-6-14(25-11)19(23)24/h5-6,9H,1-4,7-8,10H2