ethyl 4-[2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-phenethyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-2-34-26(33)20-12-14-21(15-13-20)28-24(31)18-35-27-29-23-11-7-6-10-22(23)25(32)30(27)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,28,31)