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

Systemtic Name: methyl 3-[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3CCCCC3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C21H27N3O4S/c1-28-19(26)11-12-24-20(27)16-9-5-6-10-17(16)23-21(24)29-14-18(25)22-13-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,25)