ethyl 3-methyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O8S2/c1-3-30-20(25)19-13(2)10-18(32-19)21-17(24)12-31-16-7-6-14(11-15(16)23(26)27)33(28,29)22-8-4-5-9-22/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,21,24)