trimethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate

Systemtic Name: trimethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate Openeye Name: trimethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butane-1,2,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butane-1,2,3-tricarboxylic acid trimethyl ester Formula: C17H19NO6S2 MolecularWeight: 397.46586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(CSC1=NC2=CC=CC=C2S1)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(CSC1=NC2=CC=CC=C2S1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H19NO6S2/c1-22-14(19)8-10(15(20)23-2)11(16(21)24-3)9-25-17-18-12-6-4-5-7-13(12)26-17/h4-7,10-11H,8-9H2,1-3H3