methyl 3-[3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CCC(=O)OC)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CCC(=O)OC)C

InChI

InChI=1S/C22H25N3O4S/c1-5-24-21(28)16-8-6-7-9-18(16)23-22(24)30-13-19(26)17-12-14(2)25(15(17)3)11-10-20(27)29-4/h6-9,12H,5,10-11,13H2,1-4H3