ethyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(allylamino)-4-[[3-(2-methoxy-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiazole-5-carboxylate CAS Name: 4-[[[3-(2-methoxy-2-oxoethyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-(prop-2-enylamino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate Traditional Name: 2-(allylamino)-4-[[[4-keto-3-(2-keto-2-methoxy-ethyl)quinazolin-2-yl]thio]methyl]thiazole-5-carboxylic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H22N4O5S2/c1-4-10-22-20-23-15(17(32-20)19(28)30-5-2)12-31-21-24-14-9-7-6-8-13(14)18(27)25(21)11-16(26)29-3/h4,6-9H,1,5,10-12H2,2-3H3,(H,22,23)