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

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-4-keto-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-2-31-21(28)16-32-24-25-20-14-18(22(29)26-12-6-7-13-26)10-11-19(20)23(30)27(24)15-17-8-4-3-5-9-17/h3-5,8-11,14H,2,6-7,12-13,15-16H2,1H3