5-[2-(6-nitro-4-oxidanylidene-2H-1,3-benzothiazin-3-yl)ethoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[2-(6-nitro-4-oxidanylidene-2H-1,3-benzothiazin-3-yl)ethoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 3-benzyl-5-[2-(6-nitro-4-oxo-2H-1,3-benzothiazin-3-yl)ethoxy]thiazolidine-2,4-dione CAS Name: 5-[2-(6-nitro-4-oxo-2H-1,3-benzothiazin-3-yl)ethoxy]-3-(phenylmethyl)thiazolidine-2,4-dione IUPAC Name: 3-benzyl-5-[2-(6-nitro-4-oxo-2H-1,3-benzothiazin-3-yl)ethoxy]-1,3-thiazolidine-2,4-dione Traditional Name: 3-benzyl-5-[2-(4-keto-6-nitro-2H-1,3-benzothiazin-3-yl)ethoxy]thiazolidine-2,4-quinone Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-])CCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

Isomeric SMILES

C1N(C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-])CCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O6S2/c24-17-15-10-14(23(27)28)6-7-16(15)30-12-21(17)8-9-29-19-18(25)22(20(26)31-19)11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2