(E)-but-2-enedioic acid; 7-[3-(4-quinolin-2-ylcarbonylpiperazin-1-yl)propoxy]-4H-1,4-benzothiazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[3-(4-quinolin-2-ylcarbonylpiperazin-1-yl)propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: fumaric acid; 7-[3-[4-(quinoline-2-carbonyl)piperazin-1-yl]propoxy]-4H-1,4-benzothiazin-3-one CAS Name: (E)-2-butenedioic acid; 7-[3-[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]propoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 7-[3-[4-(quinoline-2-carbonyl)piperazin-1-yl]propoxy]-4H-1,4-benzothiazin-3-one Traditional Name: fumaric acid; 7-[3-(4-quinaldoylpiperazino)propoxy]-4H-1,4-benzothiazin-3-one Formula: C29H30N4O7S MolecularWeight: 578.6361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)NC(=O)CS3)C(=O)C4=NC5=CC=CC=C5C=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)NC(=O)CS3)C(=O)C4=NC5=CC=CC=C5C=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H26N4O3S.C4H4O4/c30-24-17-33-23-16-19(7-9-21(23)27-24)32-15-3-10-28-11-13-29(14-12-28)25(31)22-8-6-18-4-1-2-5-20(18)26-22;5-3(6)1-2-4(7)8/h1-2,4-9,16H,3,10-15,17H2,(H,27,30);1-2H,(H,5,6)(H,7,8)/b;2-1+