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

Systemtic Name: methyl 3-[2-(2-ethylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2-ethyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-ethylquinazolin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-3-17-22-16-10-5-4-9-15(16)19(23-17)27-12-18(24)21-14-8-6-7-13(11-14)20(25)26-2/h4-11H,3,12H2,1-2H3,(H,21,24)