ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O3S/c1-2-23-17(22)13-9-7-12(8-10-13)11-24-18-19-15-6-4-3-5-14(15)16(21)20-18/h3-10H,2,11H2,1H3,(H,19,20,21)