[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethoxy]-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethoxy]-(6-thiophen-2-ylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethoxy]-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate Formula: C20H16N3O6S2- MolecularWeight: 458.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)COC(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-])C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)COC(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-])C

InChI

InChI=1S/C20H17N3O6S2/c1-12-13(2)29-19(15(12)10-21)22-17(24)11-28-20(25)14-6-3-4-7-16(14)23-31(26,27)18-8-5-9-30-18/h3-9,25H,11H2,1-2H3,(H,22,24)/p-1