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

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C20H16N2O4S MolecularWeight: 380.41704

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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-])OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S/c1-3-11-26-17-8-5-14(12-18(17)25-4-2)6-10-20-21-16-13-15(22(23)24)7-9-19(16)27-20/h1,5-10,12-13H,4,11H2,2H3/b10-6+