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

Systemtic Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[[(1S)-1-cyclopropylethyl]amino]-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-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC(C)C3CC3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N[C@@H](C)C3CC3

InChI

InChI=1S/C18H24N2O5S/c1-11-8-15-9-14(6-7-16(15)20(11)26(3,23)24)18(22)25-10-17(21)19-12(2)13-4-5-13/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,19,21)/t11-,12-/m0/s1