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

Systemtic Name: ethyl 2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H23N3O5S/c1-2-30-21(29)16-9-4-6-11-18(16)23-19(27)14-31-22-24-17-10-5-3-8-15(17)20(28)25(22)12-7-13-26/h3-6,8-11,26H,2,7,12-14H2,1H3,(H,23,27)