ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H25N3O3S2/c1-3-29-23(28)16-10-12-26(13-11-16)22(27)15(2)31-21-17-7-4-5-8-18(17)24-20(25-21)19-9-6-14-30-19/h4-9,14-16H,3,10-13H2,1-2H3