2-[(E)-2-(7-chloranyl-1,3-benzodioxol-5-yl)ethenyl]-5-methyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(7-chloranyl-1,3-benzodioxol-5-yl)ethenyl]-5-methyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)vinyl]-5-methyl-1,3-benzothiazole CAS Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-methyl-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-methyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)vinyl]-5-methyl-1,3-benzothiazole Formula: C17H12ClNO2S MolecularWeight: 329.80068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H12ClNO2S/c1-10-2-4-15-13(6-10)19-16(22-15)5-3-11-7-12(18)17-14(8-11)20-9-21-17/h2-8H,9H2,1H3/b5-3+