[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H19N3O5S/c1-18(8-3-7-17)15(20)11-24-16(21)13-4-5-14-12(10-13)6-9-19(14)25(2,22)23/h4-5,10H,3,6,8-9,11H2,1-2H3