methyl 4-[[3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoyl]amino]benzoate Openeye Name: methyl 4-[[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]amino]benzoate CAS Name: 4-[[3-(1H-indol-3-yl)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]amino]benzoate Traditional Name: 4-[[3-(1H-indol-3-yl)-2-(2-thenoylamino)propanoyl]amino]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-31-24(30)15-8-10-17(11-9-15)26-22(28)20(27-23(29)21-7-4-12-32-21)13-16-14-25-19-6-3-2-5-18(16)19/h2-12,14,20,25H,13H2,1H3,(H,26,28)(H,27,29)