3-chloranyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C25H19ClN2O2S MolecularWeight: 446.94856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H19ClN2O2S/c1-3-15-9-11-20-19(12-15)28-25(30-20)16-10-8-14(2)18(13-16)27-24(29)23-22(26)17-6-4-5-7-21(17)31-23/h4-13H,3H2,1-2H3,(H,27,29)