ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(cyclohexylamino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-(cyclohexylcarbamoyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-34-24(31)18-35-27-29-23-17-20(25(32)28-21-11-7-4-8-12-21)13-14-22(23)26(33)30(27)16-15-19-9-5-3-6-10-19/h3,5-6,9-10,13-14,17,21H,2,4,7-8,11-12,15-16,18H2,1H3,(H,28,32)