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

Systemtic Name: methyl 3-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S2/c1-3-19-16-11-6-4-5-7-12(11)21-18(22-16)27-10-14(23)20-13-8-9-26-15(13)17(24)25-2/h4-9H,3,10H2,1-2H3,(H,20,23)(H,19,21,22)