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

Systemtic Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C26H20ClN3O4S MolecularWeight: 505.9727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C26H20ClN3O4S/c1-26(2,3)15-9-7-14(8-10-15)25-29-18-13-16(11-12-20(18)34-25)28-24(31)23-21(27)17-5-4-6-19(30(32)33)22(17)35-23/h4-13H,1-3H3,(H,28,31)