ethyl 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O8S2 MolecularWeight: 483.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S2/c1-2-29-19(24)14-7-10-31-18(14)20-17(23)12-30-16-6-5-13(11-15(16)22(25)26)32(27,28)21-8-3-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,23)