butyl 2-[(3S)-5-bromanyl-3-(1H-indol-3-yl)-3-oxidanyl-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: butyl 2-[(3S)-5-bromanyl-3-(1H-indol-3-yl)-3-oxidanyl-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: butyl 2-[(3S)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3S)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-2-oxo-1-indolyl]acetic acid butyl ester IUPAC Name: butyl 2-[(3S)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3S)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-2-keto-indolin-1-yl]acetic acid butyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(C=C(C=C2)Br)C(C1=O)(C3=CNC4=CC=CC=C43)O

Isomeric SMILES

CCCCOC(=O)CN1C2=C(C=C(C=C2)Br)[C@](C1=O)(C3=CNC4=CC=CC=C43)O

InChI

InChI=1S/C22H21BrN2O4/c1-2-3-10-29-20(26)13-25-19-9-8-14(23)11-16(19)22(28,21(25)27)17-12-24-18-7-5-4-6-15(17)18/h4-9,11-12,24,28H,2-3,10,13H2,1H3/t22-/m1/s1