ethyl 4-[2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-methoxy-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-methoxy-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-3-33-26(31)18-9-11-19(12-10-18)27-23(30)16-34-25-21-15-20(32-2)13-14-22(21)28-24(29-25)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,27,30)