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

Systemtic Name: ethyl 4-[3-azanyl-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-amino-6-(4-chlorophenyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-2-29-21(28)26-11-9-25(10-12-26)20(27)18-17(23)15-7-8-16(24-19(15)30-18)13-3-5-14(22)6-4-13/h3-8H,2,9-12,23H2,1H3