ethanedioic acid; 7-[2-oxidanylidene-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]-4H-1,4-benzothiazin-3-one

Systemtic Name: ethanedioic acid; 7-[2-oxidanylidene-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]-4H-1,4-benzothiazin-3-one Openeye Name: oxalic acid; 7-[2-oxo-2-[4-(2-quinolylmethyl)piperazin-1-yl]ethoxy]-4H-1,4-benzothiazin-3-one CAS Name: oxalic acid; 7-[2-oxo-2-[4-(2-quinolinylmethyl)-1-piperazinyl]ethoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: oxalic acid; 7-[2-oxo-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]-4H-1,4-benzothiazin-3-one Traditional Name: 7-[2-keto-2-[4-(2-quinolylmethyl)piperazino]ethoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Formula: C26H26N4O7S MolecularWeight: 538.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C(=O)COC4=CC5=C(C=C4)NC(=O)CS5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C(=O)COC4=CC5=C(C=C4)NC(=O)CS5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N4O3S.C2H2O4/c29-23-16-32-22-13-19(7-8-21(22)26-23)31-15-24(30)28-11-9-27(10-12-28)14-18-6-5-17-3-1-2-4-20(17)25-18;3-1(4)2(5)6/h1-8,13H,9-12,14-16H2,(H,26,29);(H,3,4)(H,5,6)