methyl 8-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylate

Systemtic Name: methyl 8-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylate Openeye Name: methyl 8-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylate CAS Name: 8-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 8-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylate Traditional Name: 8-(3-keto-2-methyl-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylic acid methyl ester Formula: C20H16NO3S+ MolecularWeight: 350.41094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC4=C3C(=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC4=C3C(=CC=C4)C(=O)OC

InChI

InChI=1S/C20H16NO3S/c1-21-19(22)14-9-3-4-11-16(14)25(21)17-12-6-8-13-7-5-10-15(18(13)17)20(23)24-2/h3-12H,1-2H3/q+1