7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one; ethanedioic acid

Systemtic Name: 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one; ethanedioic acid Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid CAS Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one; oxalic acid IUPAC Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(C=C1)NC(=O)CS2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(C=C1)NC(=O)CS2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O3S.C2H2O4/c1-15(2,3)16-7-10(18)8-20-11-4-5-12-13(6-11)21-9-14(19)17-12;3-1(4)2(5)6/h4-6,10,16,18H,7-9H2,1-3H3,(H,17,19);(H,3,4)(H,5,6)