ethyl 2-[4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo(1-piperidinyl)methyl]-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-4-keto-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-2-32-22(29)17-33-25-26-21-15-19(23(30)27-13-7-4-8-14-27)11-12-20(21)24(31)28(25)16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3