ethyl (2R)-1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C23H31N3O4S/c1-4-30-22(29)19-11-7-8-13-25(19)20(27)15-31-23-24-18-10-6-5-9-17(18)21(28)26(23)14-12-16(2)3/h5-6,9-10,16,19H,4,7-8,11-15H2,1-3H3/t19-/m1/s1