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

Systemtic Name: ethyl 3-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H19N3O4S/c1-3-27-19(26)13-7-6-8-14(11-13)21-17(24)12-28-20-22-16-10-5-4-9-15(16)18(25)23(20)2/h4-11H,3,12H2,1-2H3,(H,21,24)