methyl 3-[[3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]oxymethyl]benzoate CAS Name: 3-[[3-(1H-indol-3-yl)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]propoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]oxymethyl]benzoate Traditional Name: 3-[[3-(1H-indol-3-yl)-2-(2-thenoylamino)propanoyl]oxymethyl]benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H22N2O5S/c1-31-24(29)17-7-4-6-16(12-17)15-32-25(30)21(27-23(28)22-10-5-11-33-22)13-18-14-26-20-9-3-2-8-19(18)20/h2-12,14,21,26H,13,15H2,1H3,(H,27,28)