N-[3-cyano-4-(2,2-dimethyl-3-oxidanyl-propoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethyl-3-oxidanyl-propoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethyl-propoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-cyano-4-(3-hydroxy-2,2-dimethyl-propoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2CCCC3)C#N

Isomeric SMILES

CC(C)(CO)COC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2CCCC3)C#N

InChI

InChI=1S/C21H24N2O3S/c1-21(2,12-24)13-26-18-8-7-15(9-14(18)10-22)23-20(25)17-11-27-19-6-4-3-5-16(17)19/h7-9,11,24H,3-6,12-13H2,1-2H3,(H,23,25)