methyl 3-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(2,5-dimethoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(2,5-dimethoxybenzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-15-8-9-18(27-2)14(12-15)13-29-21-22-17-7-5-4-6-16(17)20(25)23(21)11-10-19(24)28-3/h4-9,12H,10-11,13H2,1-3H3