O1-tert-butyl O2-ethyl 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 4-(6-chlorobenzothiophen-2-yl)sulfonylpiperazine-1,2-dicarboxylate CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazine-1,2-dicarboxylate Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonylpiperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C20H25ClN2O6S2 MolecularWeight: 489.0053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O6S2/c1-5-28-18(24)15-12-22(8-9-23(15)19(25)29-20(2,3)4)31(26,27)17-10-13-6-7-14(21)11-16(13)30-17/h6-7,10-11,15H,5,8-9,12H2,1-4H3