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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-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(C(=C(S1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OCC)C

InChI

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