methyl 2-[2-(2-ethylquinazolin-4-yl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

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