ethyl 4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-2-26-18(25)10-5-11-21-17(24)13-28-20-14-7-3-4-8-15(14)22-19(23-20)16-9-6-12-27-16/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,21,24)