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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S/c1-28-21-13-16(7-10-20(21)29-15-17-5-3-2-4-6-17)8-12-23-24-19-14-18(25(26)27)9-11-22(19)30-23/h2-14H,15H2,1H3/b12-8+