ethyl 2-acetamido-3-[6-(5-methanoyl-2,3-dimethoxy-phenyl)-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate

Systemtic Name: ethyl 2-acetamido-3-[6-(5-methanoyl-2,3-dimethoxy-phenyl)-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: ethyl 2-acetamido-3-[6-(5-formyl-2,3-dimethoxy-phenyl)-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: 2-acetamido-3-[6-(5-formyl-2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[6-(5-formyl-2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: 2-acetamido-3-[6-(5-formyl-2,3-dimethoxy-phenyl)-1-tosyl-indol-3-yl]propionic acid ethyl ester Formula: C31H32N2O8S MolecularWeight: 592.65938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C2=C1C=CC(=C2)C3=CC(=CC(=C3OC)OC)C=O)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CN(C2=C1C=CC(=C2)C3=CC(=CC(=C3OC)OC)C=O)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C

InChI

InChI=1S/C31H32N2O8S/c1-6-41-31(36)27(32-20(3)35)15-23-17-33(42(37,38)24-10-7-19(2)8-11-24)28-16-22(9-12-25(23)28)26-13-21(18-34)14-29(39-4)30(26)40-5/h7-14,16-18,27H,6,15H2,1-5H3,(H,32,35)