[2-(4-methoxy-1H-indol-3-yl)ethanethioylamino] hydrogen sulfate

Systemtic Name: [2-(4-methoxy-1H-indol-3-yl)ethanethioylamino] hydrogen sulfate Openeye Name: [[2-(4-methoxy-1H-indol-3-yl)ethanethioyl]amino] hydrogen sulfate CAS Name: sulfuric acid [[2-(4-methoxy-1H-indol-3-yl)-1-sulfanylideneethyl]amino] ester IUPAC Name: [[2-(4-methoxy-1H-indol-3-yl)ethanethioyl]amino] hydrogen sulfate Traditional Name: sulfuric acid [[2-(4-methoxy-1H-indol-3-yl)thioacetyl]amino] ester Formula: C11H12N2O5S2 MolecularWeight: 316.35338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2)CC(=S)NOS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2)CC(=S)NOS(=O)(=O)O

InChI

InChI=1S/C11H12N2O5S2/c1-17-9-4-2-3-8-11(9)7(6-12-8)5-10(19)13-18-20(14,15)16/h2-4,6,12H,5H2,1H3,(H,13,19)(H,14,15,16)