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

Systemtic Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S/c1-2-37-27(34)20-38-30-31-26-18-23(28(35)32-16-15-22-10-6-7-11-24(22)19-32)12-13-25(26)29(36)33(30)17-14-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3