[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-3-15-5-4-6-18-19(13-24-23(15)18)21(26)14-28-22(27)12-11-20(25)16-7-9-17(29-2)10-8-16/h4-10,13,24H,3,11-12,14H2,1-2H3