3-chloranyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H14ClN3O5S MolecularWeight: 479.89236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H14ClN3O5S/c1-31-14-8-5-12(6-9-14)23-26-16-11-13(7-10-18(16)32-23)25-22(28)21-19(24)15-3-2-4-17(27(29)30)20(15)33-21/h2-11H,1H3,(H,25,28)