[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl]oxy-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C20H21N4O5S2- MolecularWeight: 461.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-13(2)24-17(10-11-21-24)22-19(25)14(3)29-20(26)15-6-8-16(9-7-15)23-31(27,28)18-5-4-12-30-18/h4-14,26H,1-3H3,(H,22,25)/p-1/t14-/m0/s1