(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-thenoyl)acrylonitrile Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C16H11NO4S/c1-19-12-6-10(7-13-16(12)21-9-20-13)5-11(8-17)15(18)14-3-2-4-22-14/h2-7H,9H2,1H3/b11-5+