tetraethyl 8-(1,3-benzothiazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate

Systemtic Name: tetraethyl 8-(1,3-benzothiazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Openeye Name: tetraethyl 8-(1,3-benzothiazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate CAS Name: 8-(1,3-benzothiazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetraethyl ester IUPAC Name: tetraethyl 8-(1,3-benzothiazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Traditional Name: 8-(1,3-benzothiazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetraethyl ester Formula: C27H37NO8S2 MolecularWeight: 567.71458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2S1)C(=O)OCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2S1)C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H37NO8S2/c1-5-33-23(29)14-13-18(24(30)34-6-2)15-19(25(31)35-7-3)16-20(26(32)36-8-4)17-37-27-28-21-11-9-10-12-22(21)38-27/h9-12,18-20H,5-8,13-17H2,1-4H3