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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CC=CC2=C1SCC(=O)N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S.C4H4O4/c1-3-10(2)16-7-11(18)8-20-13-6-4-5-12-15(13)21-9-14(19)17-12;5-3(6)1-2-4(7)8/h4-6,10-11,16,18H,3,7-9H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+