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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S2/c1-5-29-21(28)16-12(2)17(20(27)25(3)4)31-19(16)24-15(26)10-30-18-13-8-6-7-9-14(13)22-11-23-18/h6-9,11H,5,10H2,1-4H3,(H,24,26)