O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; methylazanium

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; methylazanium Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate; methylammonium CAS Name: butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester; methylammonium IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-methyl butanedioate; methylazanium Traditional Name: methylammonium; succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester Formula: C13H17N2O4S2+ MolecularWeight: 329.41508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH3+].COC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[NH3+].COC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H11NO4S2.CH5N/c1-16-10(14)6-7-11(15)17-19-12-13-8-4-2-3-5-9(8)18-12;1-2/h2-5H,6-7H2,1H3;2H2,1H3/p+1