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

Systemtic Name: 2-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-oxidanylidene-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3Z)-3-[(4-methoxyphenyl)methylene]-2-oxo-indolin-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-oxo-1H-indol-4-yl]ethyl ester IUPAC Name: 2-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-oxo-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-keto-3-p-anisylidene-indolin-4-yl]ethyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO5S/c1-17-6-12-21(13-7-17)32(28,29)31-15-14-19-4-3-5-23-24(19)22(25(27)26-23)16-18-8-10-20(30-2)11-9-18/h3-13,16H,14-15H2,1-2H3,(H,26,27)/b22-16-