methyl (E)-2-[6-[4-(4-methylphenyl)pyrimidin-2-yl]indol-1-yl]-3-methylsulfonyloxy-prop-2-enoate

Systemtic Name: methyl (E)-2-[6-[4-(4-methylphenyl)pyrimidin-2-yl]indol-1-yl]-3-methylsulfonyloxy-prop-2-enoate Openeye Name: methyl (E)-3-methylsulfonyloxy-2-[6-[4-(p-tolyl)pyrimidin-2-yl]indol-1-yl]prop-2-enoate CAS Name: (E)-2-[6-[4-(4-methylphenyl)-2-pyrimidinyl]-1-indolyl]-3-methylsulfonyloxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[6-[4-(4-methylphenyl)pyrimidin-2-yl]indol-1-yl]-3-methylsulfonyloxyprop-2-enoate Traditional Name: (E)-3-methylsulfonyloxy-2-[6-[4-(p-tolyl)pyrimidin-2-yl]indol-1-yl]acrylic acid methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC4=C(C=C3)C=CN4C(=COS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC4=C(C=C3)C=CN4/C(=C/OS(=O)(=O)C)/C(=O)OC

InChI

InChI=1S/C24H21N3O5S/c1-16-4-6-17(7-5-16)20-10-12-25-23(26-20)19-9-8-18-11-13-27(21(18)14-19)22(24(28)31-2)15-32-33(3,29)30/h4-15H,1-3H3/b22-15+