ethyl 4-ethyl-5-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H21N3O3S2/c1-4-13-12(3)28-19(17(13)20(25)26-5-2)23-16(24)10-27-18-14-8-6-7-9-15(14)21-11-22-18/h6-9,11H,4-5,10H2,1-3H3,(H,23,24)