[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H23NO3S/c1-4-16-6-5-7-17-18(11-23-22(16)17)19(24)12-26-21(25)13-27-20-10-14(2)8-9-15(20)3/h5-11,23H,4,12-13H2,1-3H3