O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; tris(2-hydroxyethyl)azanium

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; tris(2-hydroxyethyl)azanium Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; tris(2-hydroxyethyl)ammonium CAS Name: butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester; tris(2-hydroxyethyl)ammonium IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-methyl butanedioate; tris(2-hydroxyethyl)azanium Traditional Name: succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester; tris(2-hydroxyethyl)ammonium Formula: C18H27N2O7S2+ MolecularWeight: 447.54618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1.C(CO)[NH+](CCO)CCO

Isomeric SMILES

COC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C12H11NO4S2.C6H15NO3/c1-16-10(14)6-7-11(15)17-19-12-13-8-4-2-3-5-9(8)18-12;8-4-1-7(2-5-9)3-6-10/h2-5H,6-7H2,1H3;8-10H,1-6H2/p+1