(E)-but-2-enedioic acid; 6-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: fumaric acid; 6-[2-hydroxy-3-(isopropylamino)propoxy]-4H-1,4-benzothiazin-3-one CAS Name: (E)-2-butenedioic acid; 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one Traditional Name: fumaric acid; 6-[2-hydroxy-3-(isopropylamino)propoxy]-4H-1,4-benzothiazin-3-one Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)SCC(=O)N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)SCC(=O)N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O3S.C4H4O4/c1-9(2)15-6-10(17)7-19-11-3-4-13-12(5-11)16-14(18)8-20-13;5-3(6)1-2-4(7)8/h3-5,9-10,15,17H,6-8H2,1-2H3,(H,16,18);1-2H,(H,5,6)(H,7,8)/b;2-1+