tert-butyl 2-[4-[2-(5-pyridin-2-ylthiophen-2-yl)ethyl]phenyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[2-(5-pyridin-2-ylthiophen-2-yl)ethyl]phenyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[4-[2-[5-(2-pyridyl)-2-thienyl]ethyl]phenyl]indole-1-carboxylate CAS Name: 2-[4-[2-[5-(2-pyridinyl)-2-thiophenyl]ethyl]phenyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(5-pyridin-2-ylthiophen-2-yl)ethyl]phenyl]indole-1-carboxylate Traditional Name: 2-[4-[2-[5-(2-pyridyl)-2-thienyl]ethyl]phenyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H28N2O2S MolecularWeight: 480.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=CC=C(C=C3)CCC4=CC=C(S4)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=CC=C(C=C3)CCC4=CC=C(S4)C5=CC=CC=N5

InChI

InChI=1S/C30H28N2O2S/c1-30(2,3)34-29(33)32-26-10-5-4-8-23(26)20-27(32)22-14-11-21(12-15-22)13-16-24-17-18-28(35-24)25-9-6-7-19-31-25/h4-12,14-15,17-20H,13,16H2,1-3H3