ethyl 2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O7S2/c1-4-31-21(26)19-15-7-5-6-8-17(15)32-20(19)22-18(25)12-23(33(3,29)30)16-11-14(24(27)28)10-9-13(16)2/h9-11H,4-8,12H2,1-3H3,(H,22,25)