[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C25H20ClNO3S MolecularWeight: 449.9492

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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)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO3S/c26-18-10-12-19(13-11-18)31-15-14-23(28)30-25(17-6-2-1-3-7-17)24(29)21-16-27-22-9-5-4-8-20(21)22/h1-13,16,25,27H,14-15H2