dimethyl 5-[(2-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-nitrophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N3O6S/c1-25-15(21)10-7-11(16(22)26-2)9-12(8-10)18-17(27)19-13-5-3-4-6-14(13)20(23)24/h3-9H,1-2H3,(H2,18,19,27)