2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H16N2OS MolecularWeight: 284.37604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=O

InChI

InChI=1S/C16H16N2OS/c1-10-7-12(9-19)11(2)18(10)16-14(8-17)13-5-3-4-6-15(13)20-16/h7,9H,3-6H2,1-2H3