dimethyl 2-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H25N3O6S/c1-4-17-9-12-19(13-10-17)31-25(33)20-7-5-6-8-22(20)30-28(31)38-16-24(32)29-23-15-18(26(34)36-2)11-14-21(23)27(35)37-3/h5-15H,4,16H2,1-3H3,(H,29,32)