methyl 3-oxidanylidene-4-[4-oxidanylidene-3-phenethyl-7-(propan-2-ylcarbamoyl)quinazolin-2-yl]sulfanyl-butanoate

Systemtic Name: methyl 3-oxidanylidene-4-[4-oxidanylidene-3-phenethyl-7-(propan-2-ylcarbamoyl)quinazolin-2-yl]sulfanyl-butanoate Openeye Name: methyl 4-[7-(isopropylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 3-oxo-4-[[4-oxo-7-[oxo-(propan-2-ylamino)methyl]-3-phenethyl-2-quinazolinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-[4-oxo-3-phenethyl-7-(propan-2-ylcarbamoyl)quinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[7-(isopropylcarbamoyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5S/c1-16(2)26-23(31)18-9-10-20-21(13-18)27-25(34-15-19(29)14-22(30)33-3)28(24(20)32)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,26,31)