2-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H12N3O4S2- MolecularWeight: 374.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O4S2/c20-13-6-5-11(19(22)23)7-10(13)8-17-15(21)9-24-16-18-12-3-1-2-4-14(12)25-16/h1-7,20H,8-9H2,(H,17,21)/p-1