methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(1-phenylethylamino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-15(16-8-4-3-5-9-16)23-19(26)14-30-22-24-18-11-7-6-10-17(18)21(28)25(22)13-12-20(27)29-2/h3-11,15H,12-14H2,1-2H3,(H,23,26)