[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C20H26N2O5S/c1-4-14(2)22(15-9-10-28(25,26)13-15)19(23)12-27-20(24)17-11-21(3)18-8-6-5-7-16(17)18/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3/t14-,15-/m0/s1