ethyl 4-[2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(2-acetamidoethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(2-acetamidoethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(2-acetamidoethyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C

InChI

InChI=1S/C23H24N4O5S/c1-3-32-22(31)16-8-10-17(11-9-16)25-20(29)14-33-23-26-19-7-5-4-6-18(19)21(30)27(23)13-12-24-15(2)28/h4-11H,3,12-14H2,1-2H3,(H,24,28)(H,25,29)