ethyl 4-(2-methylpropyl)-2-[2-(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(3-nitro-4-phenylsulfanyl-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-[[3-nitro-4-(phenylthio)phenyl]-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(3-nitro-4-phenylsulfanylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-[3-nitro-4-(phenylthio)benzoyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O7S2/c1-4-34-26(31)23-18(12-16(2)3)15-36-24(23)27-22(29)14-35-25(30)17-10-11-21(20(13-17)28(32)33)37-19-8-6-5-7-9-19/h5-11,13,15-16H,4,12,14H2,1-3H3,(H,27,29)