2-[3-(2,2-dimethylpropanoyloxy)-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate

Systemtic Name: 2-[3-(2,2-dimethylpropanoyloxy)-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate Openeye Name: 2-[3-(2,2-dimethylpropanoyloxy)-2-quinoxalin-2-yl-benzothiophen-6-yl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 2-[3-(2,2-dimethyl-1-oxopropoxy)-2-(2-quinoxalinyl)-1-benzothiophen-6-yl]ethyl ester IUPAC Name: 2-[3-(2,2-dimethylpropanoyloxy)-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 2-(3-pivaloyloxy-2-quinoxalin-2-yl-benzothiophen-6-yl)ethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCC1=CC2=C(C=C1)C(=C(S2)C3=NC4=CC=CC=C4N=C3)OC(=O)C(C)(C)C

Isomeric SMILES

CCC(C)C(=O)OCCC1=CC2=C(C=C1)C(=C(S2)C3=NC4=CC=CC=C4N=C3)OC(=O)C(C)(C)C

InChI

InChI=1S/C28H30N2O4S/c1-6-17(2)26(31)33-14-13-18-11-12-19-23(15-18)35-25(24(19)34-27(32)28(3,4)5)22-16-29-20-9-7-8-10-21(20)30-22/h7-12,15-17H,6,13-14H2,1-5H3