methyl (E)-2-cyano-3-[5-methoxy-3-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[5-methoxy-3-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[5-methoxy-3-(p-tolylsulfonyloxy)-1H-indol-2-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-methoxy-3-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[5-methoxy-3-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(5-methoxy-3-tosyloxy-1H-indol-2-yl)acrylic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=C2C=C(C=C3)OC)C=C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=C2C=C(C=C3)OC)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C21H18N2O6S/c1-13-4-7-16(8-5-13)30(25,26)29-20-17-11-15(27-2)6-9-18(17)23-19(20)10-14(12-22)21(24)28-3/h4-11,23H,1-3H3/b14-10+