(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-bromanyl-3-oxidanyl-1-prop-2-ynyl-indol-2-one

Systemtic Name: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-bromanyl-3-oxidanyl-1-prop-2-ynyl-indol-2-one Openeye Name: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-5-bromo-3-hydroxy-1-prop-2-ynyl-indolin-2-one CAS Name: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-prop-2-ynyl-2-indolone IUPAC Name: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-prop-2-ynylindol-2-one Traditional Name: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-5-bromo-3-hydroxy-1-propargyl-oxindole Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)[C@](C1=O)(CC(=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H14BrNO5/c1-2-7-22-15-5-4-13(21)9-14(15)20(25,19(22)24)10-16(23)12-3-6-17-18(8-12)27-11-26-17/h1,3-6,8-9,25H,7,10-11H2/t20-/m0/s1