methyl 3-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]methyl]benzoate CAS Name: 3-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]methyl]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c1-30-23(27)18-6-4-5-16(13-18)14-25-11-9-17(10-12-25)22-24-20(15-31-22)19-7-2-3-8-21(19)26(28)29/h2-8,13,15,17H,9-12,14H2,1H3