methyl 1-(methylsulfonyloxymethyl)-9-prop-2-ynyl-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(methylsulfonyloxymethyl)-9-prop-2-ynyl-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(methylsulfonyloxymethyl)-9-prop-2-ynyl-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(methylsulfonyloxymethyl)-9-prop-2-ynyl-3-pyrido[3,4-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(methylsulfonyloxymethyl)-9-prop-2-ynylpyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(methylsulfonyloxymethyl)-9-propargyl-$b-carboline-3-carboxylic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2CC#C)COS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2CC#C)COS(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S/c1-4-9-20-16-8-6-5-7-12(16)13-10-14(18(21)24-2)19-15(17(13)20)11-25-26(3,22)23/h1,5-8,10H,9,11H2,2-3H3