2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H14N2O3S MolecularWeight: 386.42316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C/C(=C\4/NC5=CC=CC=C5S4)/C(=O)C=C3

InChI

InChI=1S/C22H14N2O3S/c25-18-10-9-13(11-16(18)20-23-17-7-3-4-8-19(17)28-20)12-24-21(26)14-5-1-2-6-15(14)22(24)27/h1-11,23H,12H2/b20-16+