(E)-but-2-enedioic acid; 8-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 8-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: fumaric acid; 8-[2-hydroxy-3-(isobutylamino)propoxy]-4H-1,4-benzothiazin-3-one CAS Name: (E)-2-butenedioic acid; 8-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 8-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4H-1,4-benzothiazin-3-one Traditional Name: fumaric acid; 8-[2-hydroxy-3-(isobutylamino)propoxy]-4H-1,4-benzothiazin-3-one Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(COC1=CC=CC2=C1SCC(=O)N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNCC(COC1=CC=CC2=C1SCC(=O)N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O3S.C4H4O4/c1-10(2)6-16-7-11(18)8-20-13-5-3-4-12-15(13)21-9-14(19)17-12;5-3(6)1-2-4(7)8/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+