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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H25NO5S MolecularWeight: 427.5133

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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

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C23H25NO5S/c1-23(2,3)21(25)16-29-22(26)13-10-17-8-11-19(12-9-17)30(27,28)24-15-14-18-6-4-5-7-20(18)24/h4-13H,14-16H2,1-3H3/b13-10+