O1-tert-butyl O2-methyl 3-(2,3,7-trimethyl-1-benzothiophen-6-yl)indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 3-(2,3,7-trimethyl-1-benzothiophen-6-yl)indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 3-(2,3,7-trimethylbenzothiophen-6-yl)indole-1,2-dicarboxylate CAS Name: 3-(2,3,7-trimethyl-1-benzothiophen-6-yl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 3-(2,3,7-trimethyl-1-benzothiophen-6-yl)indole-1,2-dicarboxylate Traditional Name: 3-(2,3,7-trimethylbenzothiophen-6-yl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=CC(=C2C)C3=C(N(C4=CC=CC=C43)C(=O)OC(C)(C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C=CC(=C2C)C3=C(N(C4=CC=CC=C43)C(=O)OC(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C26H27NO4S/c1-14-16(3)32-23-15(2)17(12-13-18(14)23)21-19-10-8-9-11-20(19)27(22(21)24(28)30-7)25(29)31-26(4,5)6/h8-13H,1-7H3