(2S)-2-[2-(2-methylindol-1-yl)ethanoyloxy]-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate

Systemtic Name: (2S)-2-[2-(2-methylindol-1-yl)ethanoyloxy]-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate Openeye Name: (2S)-2-[2-(2-methylindol-1-yl)acetyl]oxy-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate CAS Name: (2S)-2-[2-(2-methyl-1-indolyl)-1-oxoethoxy]-1-(4-methylsulfonylimino-1-cyclohexa-2,5-dienylidene)-1-propanolate IUPAC Name: (2S)-2-[2-(2-methylindol-1-yl)acetyl]oxy-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate Traditional Name: (2S)-1-(4-mesyliminocyclohexa-2,5-dien-1-ylidene)-2-[2-(2-methylindol-1-yl)acetyl]oxy-propan-1-olate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)OC(C)C(=C3C=CC(=NS(=O)(=O)C)C=C3)[O-]

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)O[C@@H](C)C(=C3C=CC(=NS(=O)(=O)C)C=C3)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-14-12-17-6-4-5-7-19(17)23(14)13-20(24)28-15(2)21(25)16-8-10-18(11-9-16)22-29(3,26)27/h4-12,15,25H,13H2,1-3H3/p-1/t15-/m0/s1