(3R)-3-(1H-indol-3-yl)-2-nitro-1-phenylmethoxy-3-(phenylmethylsulfanyl)prop-1-en-1-olate

Systemtic Name: (3R)-3-(1H-indol-3-yl)-2-nitro-1-phenylmethoxy-3-(phenylmethylsulfanyl)prop-1-en-1-olate Openeye Name: (3R)-1-benzyloxy-3-benzylsulfanyl-3-(1H-indol-3-yl)-2-nitro-prop-1-en-1-olate CAS Name: (3R)-3-(1H-indol-3-yl)-2-nitro-1-phenylmethoxy-3-(phenylmethylthio)-1-propen-1-olate IUPAC Name: (3R)-3-benzylsulfanyl-3-(1H-indol-3-yl)-2-nitro-1-phenylmethoxyprop-1-en-1-olate Traditional Name: (3R)-1-benzoxy-3-(benzylthio)-3-(1H-indol-3-yl)-2-nitro-prop-1-en-1-olate Formula: C25H21N2O4S- MolecularWeight: 445.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=C(C(C2=CNC3=CC=CC=C32)SCC4=CC=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=C([C@@H](C2=CNC3=CC=CC=C32)SCC4=CC=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C25H22N2O4S/c28-25(31-16-18-9-3-1-4-10-18)23(27(29)30)24(32-17-19-11-5-2-6-12-19)21-15-26-22-14-8-7-13-20(21)22/h1-15,24,26,28H,16-17H2/p-1/t24-/m1/s1