ethyl 2-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C25H29N3O4S2/c1-4-15(3)28-23(30)16-10-6-8-12-18(16)26-25(28)33-14-20(29)27-22-21(24(31)32-5-2)17-11-7-9-13-19(17)34-22/h6,8,10,12,15H,4-5,7,9,11,13-14H2,1-3H3,(H,27,29)