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

Systemtic Name: 3-chloranyl-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C24H16ClN3O6S MolecularWeight: 509.91834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16ClN3O6S/c1-32-18-8-6-12(10-19(18)33-2)24-27-15-11-13(7-9-17(15)34-24)26-23(29)22-20(25)14-4-3-5-16(28(30)31)21(14)35-22/h3-11H,1-2H3,(H,26,29)