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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl 2-methylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl 2-methylbutanedioate CAS Name: 2-methylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-phenyl 2-methylbutanedioate Traditional Name: 2-methylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15NO4S2/c1-12(17(21)22-13-7-3-2-4-8-13)11-16(20)23-25-18-19-14-9-5-6-10-15(14)24-18/h2-10,12H,11H2,1H3