N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-ethylsulfonyl-benzamide

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-ethylsulfonyl-benzamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-4-ethylsulfonyl-benzamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-4-ethylsulfonylbenzamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-ethylsulfonylbenzamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-4-esyl-benzamide Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C22H18N2O4S2/c1-2-30(27,28)16-10-7-14(8-11-16)21(26)23-15-9-12-17(19(25)13-15)22-24-18-5-3-4-6-20(18)29-22/h3-13,24H,2H2,1H3,(H,23,26)/b22-17+