ethyl 2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H20N4O3S2/c1-2-27-19(26)14-9-10-28-18(14)23-16(25)11-29-20-22-15-6-4-3-5-13(15)17(24-20)21-12-7-8-12/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,23,25)(H,21,22,24)