methyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O8S/c1-28-14-7-11(19(25)30-3)12(8-15(14)29-2)21-17(23)9-31-16-5-4-10(18(20)24)6-13(16)22(26)27/h4-8H,9H2,1-3H3,(H2,20,24)(H,21,23)