ethyl 5-ethanoyl-2-[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[(8-ethyl-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(8-ethyl-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S2/c1-5-18-13-10-14-20-23(18)30-25(19-11-8-7-9-12-19)31-26(20)36-15-21(33)29-27-22(28(34)35-6-2)16(3)24(37-27)17(4)32/h7-14H,5-6,15H2,1-4H3,(H,29,33)