methyl 4,5-dimethyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S2/c1-9-10(2)25-15(14(9)16(20)23-3)17-13(19)8-24-12-6-4-11(5-7-12)18(21)22/h4-7H,8H2,1-3H3,(H,17,19)