methyl 3-[2-[3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(2-thenoylamino)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C25H22N2O4S/c1-31-25(30)20-8-2-6-18(16-20)12-13-19-7-3-9-21(17-19)27-23(28)11-4-14-26-24(29)22-10-5-15-32-22/h2-3,5-10,15-17H,4,11,14H2,1H3,(H,26,29)(H,27,28)