2-[(E)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N2O4S/c1-3-10-25-16-7-4-13(11-17(16)24-2)5-9-19-20-15-12-14(21(22)23)6-8-18(15)26-19/h4-9,11-12H,3,10H2,1-2H3/b9-5+