(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-(2-thenoyl)acrylonitrile Formula: C18H12ClNO3S MolecularWeight: 357.81078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CS2)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CS2)Cl)OCC#C

InChI

InChI=1S/C18H12ClNO3S/c1-3-6-23-18-14(19)9-12(10-15(18)22-2)8-13(11-20)17(21)16-5-4-7-24-16/h1,4-5,7-10H,6H2,2H3/b13-8+