dimethyl 5-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H17N3O8S/c1-29-18(25)11-5-12(19(26)30-2)7-13(6-11)21-16(23)9-31-15-4-3-10(17(20)24)8-14(15)22(27)28/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,23)