(NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-ethoxy-benzenesulfonamide

Systemtic Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-ethoxy-benzenesulfonamide Openeye Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-4-ethoxy-benzenesulfonamide CAS Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]-4-ethoxybenzenesulfonamide IUPAC Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-ethoxybenzenesulfonamide Traditional Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-keto-cyclohexa-2,5-dien-1-ylidene]-4-ethoxy-benzenesulfonamide Formula: C21H16N2O4S3 MolecularWeight: 456.55774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O4S3/c1-2-27-15-8-10-16(11-9-15)30(25,26)23-14-7-12-18(24)20(13-14)29-21-22-17-5-3-4-6-19(17)28-21/h3-13H,2H2,1H3/b23-14+