2-[1-(4-methylphenyl)sulfonyl-5-[(E)-3-oxidanylidenebut-1-enyl]indol-4-yl]ethyl ethanoate

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-5-[(E)-3-oxidanylidenebut-1-enyl]indol-4-yl]ethyl ethanoate Openeye Name: 2-[5-[(E)-3-oxobut-1-enyl]-1-(p-tolylsulfonyl)indol-4-yl]ethyl acetate CAS Name: acetic acid 2-[1-(4-methylphenyl)sulfonyl-5-[(E)-3-oxobut-1-enyl]-4-indolyl]ethyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-5-[(E)-3-oxobut-1-enyl]indol-4-yl]ethyl acetate Traditional Name: acetic acid 2-[5-[(E)-3-ketobut-1-enyl]-1-tosyl-indol-4-yl]ethyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)C=CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)/C=C/C(=O)C

InChI

InChI=1S/C23H23NO5S/c1-16-4-9-20(10-5-16)30(27,28)24-14-12-22-21(13-15-29-18(3)26)19(7-6-17(2)25)8-11-23(22)24/h4-12,14H,13,15H2,1-3H3/b7-6+