2-(4-cyanophenoxy)ethyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid 2-(4-cyanophenoxy)ethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCCOC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCCOC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H21N3O4S/c26-15-17-7-9-19(10-8-17)31-11-12-32-25(30)22(28-24(29)23-6-3-13-33-23)14-18-16-27-21-5-2-1-4-20(18)21/h1-10,13,16,22,27H,11-12,14H2,(H,28,29)