ethyl 2-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C(=C(S3)C(=O)NC)C)C(=O)OCC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C(=C(S3)C(=O)NC)C)C(=O)OCC

InChI

InChI=1S/C22H25N5O4S2/c1-5-24-18-13-9-7-8-10-14(13)25-22(27-18)32-11-15(28)26-20-16(21(30)31-6-2)12(3)17(33-20)19(29)23-4/h7-10H,5-6,11H2,1-4H3,(H,23,29)(H,26,28)(H,24,25,27)