methyl 5-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C20H22N4O3S/c1-5-21-18-13-8-6-7-9-14(13)23-20(24-18)28-10-15(25)17-11(2)16(12(3)22-17)19(26)27-4/h6-9,22H,5,10H2,1-4H3,(H,21,23,24)