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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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