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

Systemtic Name: (4-bromophenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbamate Openeye Name: (4-bromophenyl)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-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)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-bromobenzyl) ester Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2S/c1-13-11-14(2)23-19-17(13)18(25-9-3-4-10-25)20(28-19)24-21(26)27-12-15-5-7-16(22)8-6-15/h3-11H,12H2,1-2H3,(H,24,26)