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

Systemtic Name: ethyl 3-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

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

InChI

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