ethyl 5-ethyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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