ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-phenyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-3-phenyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4S/c1-2-35-25(32)18-36-28-29-24-16-20(26(33)30-15-14-19-8-6-7-9-21(19)17-30)12-13-23(24)27(34)31(28)22-10-4-3-5-11-22/h3-13,16H,2,14-15,17-18H2,1H3