(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-mesyl-acrylonitrile Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/S(=O)(=O)C)OC

InChI

InChI=1S/C14H16ClNO4S/c1-9(2)20-14-12(15)6-10(7-13(14)19-3)5-11(8-16)21(4,17)18/h5-7,9H,1-4H3/b11-5+