ethyl 3-[2-(2-ethylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(2-ethylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2-ethyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-ethylquinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O3S/c1-3-18-23-17-11-6-5-10-16(17)20(24-18)28-13-19(25)22-15-9-7-8-14(12-15)21(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)