methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H13N3O6S2 MolecularWeight: 395.41022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6S2/c1-24-15(21)13-9(4-5-25-13)17-12(19)7-26-11-3-2-8(14(16)20)6-10(11)18(22)23/h2-6H,7H2,1H3,(H2,16,20)(H,17,19)