[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H20N2O6S/c1-12-8-14-9-13(5-6-16(14)20(12)27(2,23)24)18(22)26-11-17(21)19-10-15-4-3-7-25-15/h3-7,9,12H,8,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1