(E)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]-3-(4-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]-3-(4-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(5-chloro-3-methyl-benzothiophene-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-3-(4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-chloro-3-methyl-1-benzothiophene-2-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(5-chloro-3-methyl-benzothiophene-2-carbonyl)-3-(4-methoxyphenyl)acrylonitrile Formula: C20H14ClNO2S MolecularWeight: 367.84866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C20H14ClNO2S/c1-12-17-10-15(21)5-8-18(17)25-20(12)19(23)14(11-22)9-13-3-6-16(24-2)7-4-13/h3-10H,1-2H3/b14-9+