methyl 3-nitro-4-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-benzoate Openeye Name: methyl 3-nitro-4-[2-(thiophene-2-carbonylamino)phenyl]sulfanyl-benzoate CAS Name: 3-nitro-4-[[2-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-(thiophene-2-carbonylamino)phenyl]sulfanylbenzoate Traditional Name: 3-nitro-4-[[2-(2-thenoylamino)phenyl]thio]benzoic acid methyl ester Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O5S2/c1-26-19(23)12-8-9-16(14(11-12)21(24)25)28-15-6-3-2-5-13(15)20-18(22)17-7-4-10-27-17/h2-11H,1H3,(H,20,22)