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

Systemtic Name: methyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S2/c1-27-21(26)14-8-10-24(11-9-14)18(25)13-29-20-15-5-2-3-6-16(15)22-19(23-20)17-7-4-12-28-17/h2-7,12,14H,8-11,13H2,1H3