[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20N2O3S/c29-24(15-14-23-28-21-12-6-7-13-22(21)32-23)31-26(17-8-2-1-3-9-17)25(30)19-16-27-20-11-5-4-10-18(19)20/h1-13,16,26-27H,14-15H2