(3-chloranyl-1-benzothiophen-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C(C3=CC=CC=C3S2)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)OCC#N

InChI

InChI=1S/C21H16ClNO4S/c1-25-17-12-14(6-8-16(17)26-11-10-23)7-9-20(24)27-13-19-21(22)15-4-2-3-5-18(15)28-19/h2-9,12H,11,13H2,1H3/b9-7+