methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-14-9-11-25(12-10-14)17-8-7-15(13-18(17)26(29)30)21(27)24-22-20(23(28)31-2)16-5-3-4-6-19(16)32-22/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,24,27)