tert-butyl 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)N4C=CC=C4)C

InChI

InChI=1S/C23H28N4O3S/c1-15-14-16(2)24-20-17(15)18(25-8-6-7-9-25)19(31-20)21(28)26-10-12-27(13-11-26)22(29)30-23(3,4)5/h6-9,14H,10-13H2,1-5H3