ethyl 2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[3-(cyclohexylmethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 2-[[3-(cyclohexylmethyl)-4-oxo-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-(cyclohexylmethyl)-4-keto-quinazolin-2-yl]thio]propionic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3

InChI

InChI=1S/C20H26N2O3S/c1-3-25-19(24)14(2)26-20-21-17-12-8-7-11-16(17)18(23)22(20)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3