methyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O6S2/c1-8-9(2)28-16(14(8)17(23)26-3)19-13(21)7-27-12-5-4-10(15(18)22)6-11(12)20(24)25/h4-6H,7H2,1-3H3,(H2,18,22)(H,19,21)