[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C27H22N2O3S MolecularWeight: 454.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H22N2O3S/c30-25(16-8-15-24-29-22-13-6-7-14-23(22)33-24)32-27(18-9-2-1-3-10-18)26(31)20-17-28-21-12-5-4-11-19(20)21/h1-7,9-14,17,27-28H,8,15-16H2