(4-tert-butylphenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbamate

Systemtic Name: (4-tert-butylphenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbamate Openeye Name: (4-tert-butylphenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbamate CAS Name: N-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]carbamic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)carbamate Traditional Name: N-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbamic acid (4-tert-butylbenzyl) ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)NC(=O)OCC3=CC=C(C=C3)C(C)(C)C)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)NC(=O)OCC3=CC=C(C=C3)C(C)(C)C)N4C=CC=C4)C

InChI

InChI=1S/C25H27N3O2S/c1-16-14-17(2)26-22-20(16)21(28-12-6-7-13-28)23(31-22)27-24(29)30-15-18-8-10-19(11-9-18)25(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)