(E)-3-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4,5-dihydroxy-phenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-4,5-dihydroxyphenyl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-4,5-dihydroxyphenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4,5-dihydroxy-phenyl)-2-(2-thenoyl)acrylonitrile Formula: C14H8ClNO3S MolecularWeight: 305.73622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C(=CC2=CC(=C(C(=C2)Cl)O)O)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)O)/C#N

InChI

InChI=1S/C14H8ClNO3S/c15-10-5-8(6-11(17)14(10)19)4-9(7-16)13(18)12-2-1-3-20-12/h1-6,17,19H/b9-4+