[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: [methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [[2-(isopropylamino)-2-keto-ethyl]-methyl-amino]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C17H20N3O4S2- MolecularWeight: 394.4884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(C)C(=C1C=CC(=NS(=O)(=O)C2=CC=CS2)C=C1)[O-]

Isomeric SMILES

CC(C)NC(=O)CN(C)C(=C1C=CC(=NS(=O)(=O)C2=CC=CS2)C=C1)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-12(2)18-15(21)11-20(3)17(22)13-6-8-14(9-7-13)19-26(23,24)16-5-4-10-25-16/h4-10,12,22H,11H2,1-3H3,(H,18,21)/p-1