methyl 3-[4-oxidanylidene-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[4-keto-4-(2-thienyl)butyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S2/c1-26-18(24)10-11-22-19(25)14-6-2-3-7-15(14)21-20(22)28-13-4-8-16(23)17-9-5-12-27-17/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3