2-[(3Z)-2-oxidanylidene-3-(phenylmethylidene)-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3Z)-2-oxidanylidene-3-(phenylmethylidene)-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3Z)-3-benzylidene-2-oxo-indolin-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-oxo-3-(phenylmethylene)-1H-indol-4-yl]ethyl ester IUPAC Name: 2-[(3Z)-3-benzylidene-2-oxo-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3Z)-3-benzal-2-keto-indolin-4-yl]ethyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C3C(=CC=C2)NC(=O)C3=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C\3C(=CC=C2)NC(=O)/C3=C\C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S/c1-17-10-12-20(13-11-17)30(27,28)29-15-14-19-8-5-9-22-23(19)21(24(26)25-22)16-18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,25,26)/b21-16-