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

Systemtic Name: methyl 3-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-4-22-19-15-7-5-6-8-16(15)24-21(25-19)29-12-18(26)23-17-11-14(20(27)28-3)10-9-13(17)2/h5-11H,4,12H2,1-3H3,(H,23,26)(H,22,24,25)