triethyl 4-(1,3-benzoxazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate

Systemtic Name: triethyl 4-(1,3-benzoxazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate Openeye Name: triethyl 4-(1,3-benzoxazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate CAS Name: 4-(1,3-benzoxazol-2-ylthio)butane-1,2,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 4-(1,3-benzoxazol-2-ylsulfanyl)butane-1,2,3-tricarboxylate Traditional Name: 4-(1,3-benzoxazol-2-ylthio)butane-1,2,3-tricarboxylic acid triethyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CSC1=NC2=CC=CC=C2O1)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C(CSC1=NC2=CC=CC=C2O1)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H25NO7S/c1-4-25-17(22)11-13(18(23)26-5-2)14(19(24)27-6-3)12-29-20-21-15-9-7-8-10-16(15)28-20/h7-10,13-14H,4-6,11-12H2,1-3H3