methyl 2-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-3-4-7-16-10-12-17(13-11-16)26-22(29)18-8-5-6-9-19(18)25-23(26)31-15-20(27)24-14-21(28)30-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,24,27)