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

Systemtic Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-14(2)10-11-27-18-7-4-15(12-19(18)26-3)5-9-21-22-17-13-16(23(24)25)6-8-20(17)28-21/h4-9,12-14H,10-11H2,1-3H3/b9-5+