methyl 3-(1H-indol-3-yl)-2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[2-[4-(2-thenoyl)phenyl]propanoylamino]propionic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C26H24N2O4S/c1-16(17-9-11-18(12-10-17)24(29)23-8-5-13-33-23)25(30)28-22(26(31)32-2)14-19-15-27-21-7-4-3-6-20(19)21/h3-13,15-16,22,27H,14H2,1-2H3,(H,28,30)