tert-butyl [6-(3-methyl-2-oxidanylidene-pentyl)-2-quinoxalin-2-yl-1-benzothiophen-3-yl] carbonate

Systemtic Name: tert-butyl [6-(3-methyl-2-oxidanylidene-pentyl)-2-quinoxalin-2-yl-1-benzothiophen-3-yl] carbonate Openeye Name: tert-butyl [6-(3-methyl-2-oxo-pentyl)-2-quinoxalin-2-yl-benzothiophen-3-yl] carbonate CAS Name: carbonic acid tert-butyl [6-(3-methyl-2-oxopentyl)-2-(2-quinoxalinyl)-1-benzothiophen-3-yl] ester IUPAC Name: tert-butyl [6-(3-methyl-2-oxopentyl)-2-quinoxalin-2-yl-1-benzothiophen-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [6-(2-keto-3-methyl-pentyl)-2-quinoxalin-2-yl-benzothiophen-3-yl] ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)CC1=CC2=C(C=C1)C(=C(S2)C3=NC4=CC=CC=C4N=C3)OC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(=O)CC1=CC2=C(C=C1)C(=C(S2)C3=NC4=CC=CC=C4N=C3)OC(=O)OC(C)(C)C

InChI

InChI=1S/C27H28N2O4S/c1-6-16(2)22(30)13-17-11-12-18-23(14-17)34-25(24(18)32-26(31)33-27(3,4)5)21-15-28-19-9-7-8-10-20(19)29-21/h7-12,14-16H,6,13H2,1-5H3