methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-[3-(quinolin-2-ylcarbonylamino)phenyl]methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-[3-(quinolin-2-ylcarbonylamino)phenyl]methyl]sulfanylpropanoate Openeye Name: methyl 3-[(3-methoxy-3-oxo-propyl)sulfanyl-[3-(quinoline-2-carbonylamino)phenyl]methyl]sulfanylpropanoate CAS Name: 3-[[[(3-methoxy-3-oxopropyl)thio]-[3-[[oxo(2-quinolinyl)methyl]amino]phenyl]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl-[3-(quinoline-2-carbonylamino)phenyl]methyl]sulfanylpropanoate Traditional Name: 3-[[[(3-keto-3-methoxy-propyl)thio]-[3-(quinaldoylamino)phenyl]methyl]thio]propionic acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC(=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(C1=CC(=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)SCCC(=O)OC

InChI

InChI=1S/C25H26N2O5S2/c1-31-22(28)12-14-33-25(34-15-13-23(29)32-2)18-7-5-8-19(16-18)26-24(30)21-11-10-17-6-3-4-9-20(17)27-21/h3-11,16,25H,12-15H2,1-2H3,(H,26,30)