(4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl)OC)OC

InChI

InChI=1S/C21H19ClO4S/c1-13-10-16(24-2)17(25-3)11-14(13)12-26-20(23)9-8-19-21(22)15-6-4-5-7-18(15)27-19/h4-11H,12H2,1-3H3/b9-8+