ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H23N3O3S2/c1-2-28-22(27)15-7-5-11-25(13-15)19(26)14-30-21-16-8-3-4-9-17(16)23-20(24-21)18-10-6-12-29-18/h3-4,6,8-10,12,15H,2,5,7,11,13-14H2,1H3