(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-thenoyl)acrylonitrile Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O3S/c1-13-8-15(9-16(11-22)21(24)20-4-3-7-27-20)14(2)23(13)17-5-6-18-19(10-17)26-12-25-18/h3-10H,12H2,1-2H3/b16-9+