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

Systemtic Name: ethyl 2-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C23H25N3O5S/c1-3-31-22(29)17-10-5-7-12-19(17)24-20(27)15-32-23-25-18-11-6-4-9-16(18)21(28)26(23)13-8-14-30-2/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,24,27)