ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxo-3-phenyl-propanoate CAS Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxo-3-phenylpropanoate Traditional Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]-3-keto-3-phenyl-propionic acid ethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)C(=O)C3=CC=CC=C3

InChI

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