3-(5-methyl-3-nitro-2-phenylmethoxy-phenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

Systemtic Name: 3-(5-methyl-3-nitro-2-phenylmethoxy-phenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid Openeye Name: 3-(2-benzyloxy-5-methyl-3-nitro-phenyl)imidazo[2,1-b]thiazole-6-carboxylic acid CAS Name: 3-(5-methyl-3-nitro-2-phenylmethoxyphenyl)-6-imidazo[2,1-b]thiazolecarboxylic acid IUPAC Name: 3-(5-methyl-3-nitro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid Traditional Name: 3-(2-benzoxy-5-methyl-3-nitro-phenyl)imidazo[2,1-b]thiazole-6-carboxylic acid Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CSC3=NC(=CN23)C(=O)O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CSC3=NC(=CN23)C(=O)O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S/c1-12-7-14(17-11-29-20-21-15(19(24)25)9-22(17)20)18(16(8-12)23(26)27)28-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,24,25)