(5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H17ClO4S MolecularWeight: 400.87528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H17ClO4S/c1-13(23)14-7-8-17(25-2)15(11-14)12-26-20(24)10-9-19-21(22)16-5-3-4-6-18(16)27-19/h3-11H,12H2,1-2H3/b10-9+