[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]oxy-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C20H23N2O5S2- MolecularWeight: 435.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

InChI

InChI=1S/C20H24N2O5S2/c1-14(19(23)21-16-6-3-2-4-7-16)27-20(24)15-9-11-17(12-10-15)22-29(25,26)18-8-5-13-28-18/h5,8-14,16,24H,2-4,6-7H2,1H3,(H,21,23)/p-1/t14-/m0/s1