ethyl 2-(4-oxidanylidene-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-oxidanylidene-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo(1-piperidinyl)methyl]-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-2-33-23(30)18-34-26-27-22-17-20(24(31)28-14-7-4-8-15-28)11-12-21(22)25(32)29(26)16-13-19-9-5-3-6-10-19/h3,5-6,9-12,17H,2,4,7-8,13-16,18H2,1H3