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

Systemtic Name: sodium O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate Openeye Name: sodium O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl butanedioate CAS Name: sodium butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester IUPAC Name: sodium 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-methyl butanedioate Traditional Name: sodium succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester Formula: C12H11NNaO4S2+ MolecularWeight: 320.33981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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