3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate

Systemtic Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate Openeye Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate CAS Name: 3-ethyl-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate IUPAC Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate Traditional Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole perchlorate Formula: C20H19ClNO5S- MolecularWeight: 420.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)C=C3C=C(C4=CC=CC=C4O3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)/C=C/3\C=C(C4=CC=CC=C4O3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H19NOS.ClHO4/c1-3-21-17-9-5-7-11-19(17)23-20(21)13-15-12-14(2)16-8-4-6-10-18(16)22-15;2-1(3,4)5/h4-13,20H,3H2,1-2H3;(H,2,3,4,5)/p-1/b15-13+;