methyl 3-[2-(2-cyano-4-oxidanylidene-chromen-7-yl)-2-oxidanyl-1-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(2-cyano-4-oxidanylidene-chromen-7-yl)-2-oxidanyl-1-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-cyano-4-oxo-chromen-7-yl)-2-hydroxy-1-[3-(2-quinolylmethoxy)phenyl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-cyano-4-oxo-1-benzopyran-7-yl)-2-hydroxy-1-[3-(2-quinolinylmethoxy)phenyl]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-cyano-4-oxochromen-7-yl)-2-hydroxy-1-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-cyano-4-keto-chromen-7-yl)-2-hydroxy-1-[3-(2-quinolylmethoxy)phenyl]ethyl]thio]propionic acid methyl ester Formula: C32H26N2O6S MolecularWeight: 566.62364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4=CC5=C(C=C4)C(=O)C=C(O5)C#N)O

Isomeric SMILES

COC(=O)CCSC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4=CC5=C(C=C4)C(=O)C=C(O5)C#N)O

InChI

InChI=1S/C32H26N2O6S/c1-38-30(36)13-14-41-32(31(37)21-10-12-26-28(35)17-25(18-33)40-29(26)16-21)22-6-4-7-24(15-22)39-19-23-11-9-20-5-2-3-8-27(20)34-23/h2-12,15-17,31-32,37H,13-14,19H2,1H3