methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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)CCC4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-13-8-10-24(11-9-13)16-7-6-14(12-17(16)25(28)29)20(26)23-21-19(22(27)30-2)15-4-3-5-18(15)31-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,26)