diethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O5S2/c1-4-28-20(26)16-12(3)17(21(27)29-5-2)31-19(16)24-15(25)10-30-18-13-8-6-7-9-14(13)22-11-23-18/h6-9,11H,4-5,10H2,1-3H3,(H,24,25)