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

Systemtic Name: 2-[(E)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C18H15BrN2O4S/c1-3-25-15-9-11(8-13(19)18(15)24-2)4-7-17-20-14-10-12(21(22)23)5-6-16(14)26-17/h4-10H,3H2,1-2H3/b7-4+