methyl 2-[4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-thiomorpholin-4-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-thiomorpholin-4-ium-4-yl]ethanoate Openeye Name: methyl 2-[4-[2-(1H-indol-3-yl)ethyl]-3-oxo-thiomorpholin-4-ium-4-yl]acetate CAS Name: 2-[4-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-thiomorpholin-4-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(1H-indol-3-yl)ethyl]-3-oxothiomorpholin-4-ium-4-yl]acetate Traditional Name: 2-[4-[2-(1H-indol-3-yl)ethyl]-3-keto-thiomorpholin-4-ium-4-yl]acetic acid methyl ester Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(CCSCC1=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)C[N+]1(CCSCC1=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H21N2O3S/c1-22-17(21)11-19(8-9-23-12-16(19)20)7-6-13-10-18-15-5-3-2-4-14(13)15/h2-5,10,18H,6-9,11-12H2,1H3/q+1