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

Systemtic Name: methyl 2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O7S2/c1-12-8-9-13(23(26)27)10-15(12)22(32(3,28)29)11-17(24)21-19-18(20(25)30-2)14-6-4-5-7-16(14)31-19/h8-10H,4-7,11H2,1-3H3,(H,21,24)