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

Systemtic Name: ethyl 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

InChI

InChI=1S/C21H24N4O3S/c1-4-28-21(27)25-11-9-24(10-12-25)20(26)18-17(23-7-5-6-8-23)16-14(2)13-15(3)22-19(16)29-18/h5-8,13H,4,9-12H2,1-3H3