3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)OC

InChI

InChI=1S/C22H21N3O5S/c1-28-18-9-8-14(12-19(18)29-2)20-23-16(13-31-20)21(26)30-11-5-10-25-17-7-4-3-6-15(17)24-22(25)27/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,27)