(3S)-5-bromanyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(thiophen-2-ylmethyl)indol-2-one

Systemtic Name: (3S)-5-bromanyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(thiophen-2-ylmethyl)indol-2-one Openeye Name: (3S)-5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1-(2-thienylmethyl)indolin-2-one CAS Name: (3S)-5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-(thiophen-2-ylmethyl)-2-indolone IUPAC Name: (3S)-5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-(thiophen-2-ylmethyl)indol-2-one Traditional Name: (3S)-5-bromo-3-hydroxy-3-[2-keto-2-(4-nitrophenyl)ethyl]-1-(2-thenyl)oxindole Formula: C21H15BrN2O5S MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)CN2C3=C(C=C(C=C3)Br)[C@](C2=O)(CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H15BrN2O5S/c22-14-5-8-18-17(10-14)21(27,20(26)23(18)12-16-2-1-9-30-16)11-19(25)13-3-6-15(7-4-13)24(28)29/h1-10,27H,11-12H2/t21-/m0/s1