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

Systemtic Name: ethanedioic acid; 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid IUPAC Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Traditional Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-4H-1,4-benzothiazin-3-one; oxalic acid Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S.C2H2O4/c1-9(2)15-6-10(17)7-19-11-3-4-12-13(5-11)20-8-14(18)16-12;3-1(4)2(5)6/h3-5,9-10,15,17H,6-8H2,1-2H3,(H,16,18);(H,3,4)(H,5,6)