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

Systemtic Name: 2-[(3Z)-3-[(2R)-2-methylbutylidene]-2-oxidanylidene-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3Z)-3-[(2R)-2-methylbutylidene]-2-oxo-indolin-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3Z)-3-[(2R)-2-methylbutylidene]-2-oxo-1H-indol-4-yl]ethyl ester IUPAC Name: 2-[(3Z)-3-[(2R)-2-methylbutylidene]-2-oxo-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-keto-3-[(2R)-2-methylbutylidene]indolin-4-yl]ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C=C1C2=C(C=CC=C2NC1=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@@H](C)/C=C\1/C2=C(C=CC=C2NC1=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO4S/c1-4-15(2)14-19-21-17(6-5-7-20(21)23-22(19)24)12-13-27-28(25,26)18-10-8-16(3)9-11-18/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24)/b19-14-/t15-/m1/s1