ethyl 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromene-2-carboxylate

Systemtic Name: ethyl 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromene-2-carboxylate Openeye Name: ethyl 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]chromene-2-carboxylate CAS Name: 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromene-2-carboxylate Traditional Name: 4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]chromene-2-carboxylic acid ethyl ester Formula: C21H18NO3S+ MolecularWeight: 364.43752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C4=CC=CC=C4O1

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C4=CC=CC=C4O1

InChI

InChI=1S/C21H18NO3S/c1-3-24-21(23)18-12-14(15-8-4-6-10-17(15)25-18)13-20-22(2)16-9-5-7-11-19(16)26-20/h4-13H,3H2,1-2H3/q+1