butyl 2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoate Openeye Name: butyl 2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetic acid butyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

InChI

InChI=1S/C20H22N2O3S/c1-3-5-10-25-18(23)13-26-20-21-17-12-15-9-7-6-8-14(15)11-16(17)19(24)22(20)4-2/h6-9,11-12H,3-5,10,13H2,1-2H3