N-[3-cyano-4-(2,2-dimethyl-3-oxidanyl-propoxy)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethyl-3-oxidanyl-propoxy)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethyl-propoxy)phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethyl-propoxy)phenyl]benzothiophene-2-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC(C)(CO)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C21H20N2O3S/c1-21(2,12-24)13-26-17-8-7-16(9-15(17)11-22)23-20(25)19-10-14-5-3-4-6-18(14)27-19/h3-10,24H,12-13H2,1-2H3,(H,23,25)