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

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-(2-phenylethanoylamino)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[(2-phenylacetyl)amino]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-[(2-phenylacetyl)amino]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-[(2-phenylacetyl)amino]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H24N4O5S MolecularWeight: 516.56826

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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)N2NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O5S/c1-2-36-26(35)19-12-14-20(15-13-19)28-24(33)17-37-27-29-22-11-7-6-10-21(22)25(34)31(27)30-23(32)16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,28,33)(H,30,32)