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

Systemtic Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)OCC

InChI

InChI=1S/C27H31N3O4S/c1-3-5-8-14-30-26(33)22-12-11-20(16-23(22)28-27(30)35-18-24(31)34-4-2)25(32)29-15-13-19-9-6-7-10-21(19)17-29/h6-7,9-12,16H,3-5,8,13-15,17-18H2,1-2H3