(3,3-dimethyl-2-oxidanylidene-butyl) 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: 3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C=CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC)OC

InChI

InChI=1S/C25H29NO7S/c1-25(2,3)22(27)16-33-23(28)11-10-17-14-20(31-4)24(32-5)21(15-17)34(29,30)26-13-12-18-8-6-7-9-19(18)26/h6-11,14-15H,12-13,16H2,1-5H3