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

Systemtic Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxo-butanoate CAS Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]-3-oxobutanoate Traditional Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]-3-keto-butyric acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-4-21-17(20)13(11(3)19)10-14-12-8-6-7-9-15(12)18-16(14)22-5-2/h6-9,13,18H,4-5,10H2,1-3H3