methyl 1-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-20-16(23)13-5-3-4-6-14(13)19-18(20)26-11-15(22)21-9-7-12(8-10-21)17(24)25-2/h3-6,12H,7-11H2,1-2H3