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

Systemtic Name: ethanedioic acid; 7-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: 7-[2-hydroxy-3-(isobutylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid CAS Name: 7-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid IUPAC Name: 7-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Traditional Name: 7-[2-hydroxy-3-(isobutylamino)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)CNCC(COC1=CC2=C(C=C1)NC(=O)CS2)O.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S.C2H2O4/c1-10(2)6-16-7-11(18)8-20-12-3-4-13-14(5-12)21-9-15(19)17-13;3-1(4)2(5)6/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)