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

Systemtic Name: (E)-but-2-enedioic acid; 8-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: 8-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-1,4-benzothiazin-3-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 8-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one Traditional Name: 8-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-1,4-benzothiazin-3-one; fumaric acid Formula: C34H48N4O10S2 MolecularWeight: 736.89572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H22N2O3S.C4H4O4/c2*1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-14(12)21-9-13(19)17-11;5-3(6)1-2-4(7)8/h2*4-6,10,16,18H,7-9H2,1-3H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;;2-1+