methyl 3-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

COC(=O)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C17H15ClN2O4S/c1-23-15(21)6-8-25-17-19-14-9-11(18)4-5-13(14)16(22)20(17)10-12-3-2-7-24-12/h2-5,7,9H,6,8,10H2,1H3