methyl 4-[2-[[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[4-(3-methylpiperidino)-3-nitro-benzoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c1-13-4-3-7-26(11-13)18-6-5-14(9-19(18)27(30)31)20(28)25-22-24-17(12-33-22)15-8-16(23-10-15)21(29)32-2/h5-6,8-10,12-13,23H,3-4,7,11H2,1-2H3,(H,24,25,28)