3-chloranyl-7-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide Formula: C21H11ClN4O4S MolecularWeight: 450.85444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C21H11ClN4O4S/c22-17-13-4-1-5-15(26(28)29)18(13)31-19(17)20(27)24-12-6-7-16-14(9-12)25-21(30-16)11-3-2-8-23-10-11/h1-10H,(H,24,27)