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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-methylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-methylbutanedioate CAS Name: 2-methylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-methyl 2-methylbutanedioate Traditional Name: 2-methylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

CC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C13H13NO4S2/c1-8(12(16)17-2)7-11(15)18-20-13-14-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3