N-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OCC#C

InChI

InChI=1S/C21H16ClN3O5S/c1-3-7-30-20-16(22)8-13(9-17(20)29-4-2)12-23-24-21(26)19-11-14-10-15(25(27)28)5-6-18(14)31-19/h1,5-6,8-12H,4,7H2,2H3,(H,24,26)