3-chloranyl-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C26H20ClN3O5S MolecularWeight: 521.9721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H20ClN3O5S/c1-13(2)14-7-10-21-18(11-14)29-26(35-21)15-8-9-20(34-3)17(12-15)28-25(31)24-22(27)16-5-4-6-19(30(32)33)23(16)36-24/h4-13H,1-3H3,(H,28,31)