2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-6-methylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-6-methylsulfanyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methoxy-6-methylsulfanyl-1,3-benzothiazole CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-6-(methylthio)-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-6-methylsulfanyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methoxy-6-(methylthio)-1,3-benzothiazole Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)C=CC3=CC4=C(C=C3)OCO4)SC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)/C=C/C3=CC4=C(C=C3)OCO4)SC

InChI

InChI=1S/C18H15NO3S2/c1-20-15-8-12-16(9-17(15)23-2)24-18(19-12)6-4-11-3-5-13-14(7-11)22-10-21-13/h3-9H,10H2,1-2H3/b6-4+