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

Systemtic Name: butyl 4-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C23H25N3O4S/c1-3-5-14-30-22(29)16-10-12-17(13-11-16)24-20(27)15-31-23-25-19-9-7-6-8-18(19)21(28)26(23)4-2/h6-13H,3-5,14-15H2,1-2H3,(H,24,27)