ethyl 4-[2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(dimethylamino)-6-(4-methyl-2-thienyl)pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(dimethylamino)-6-(4-methyl-2-thiophenyl)-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(dimethylamino)-6-(4-methylthiophen-2-yl)pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(dimethylamino)-6-(4-methyl-2-thienyl)nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C3=CC(=CS3)C)N(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C3=CC(=CS3)C)N(C)C

InChI

InChI=1S/C20H26N4O3S/c1-5-27-20(26)24-10-8-23(9-11-24)19(25)15-6-7-16(21-18(15)22(3)4)17-12-14(2)13-28-17/h6-7,12-13H,5,8-11H2,1-4H3