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

Systemtic Name: methyl 3-[2-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-29-19(27)10-11-25-20(28)16-4-2-3-5-17(16)24-21(25)30-13-18(26)23-12-14-6-8-15(22)9-7-14/h2-9H,10-13H2,1H3,(H,23,26)