3-nitro-5-oxidanylidene-2-thiomorpholin-4-yl-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid

Systemtic Name: 3-nitro-5-oxidanylidene-2-thiomorpholin-4-yl-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Openeye Name: 3-nitro-5-oxo-2-thiomorpholino-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid CAS Name: 3-nitro-5-oxo-2-thiomorpholin-4-yl-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid IUPAC Name: 3-nitro-5-oxo-2-thiomorpholin-4-yl-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Traditional Name: 5-keto-3-nitro-2-thiomorpholino-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2)N4C5=CC=CC=C5SC4=C(C3=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2)N4C5=CC=CC=C5SC4=C(C3=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c24-18-11-9-15(23(27)28)14(21-5-7-29-8-6-21)10-13(11)22-12-3-1-2-4-16(12)30-19(22)17(18)20(25)26/h1-4,9-10H,5-8H2,(H,25,26)