3,6-bis(chloranyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(o-tolyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(o-tolyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide Formula: C23H14Cl2N2O2S MolecularWeight: 453.34046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H14Cl2N2O2S/c1-12-4-2-3-5-15(12)23-27-17-11-14(7-9-18(17)29-23)26-22(28)21-20(25)16-8-6-13(24)10-19(16)30-21/h2-11H,1H3,(H,26,28)