[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21NO6S/c1-25-18-6-3-5-16(20(18)26-2)21-23-15(13-30-21)12-29-22(24)14-7-8-17-19(11-14)28-10-4-9-27-17/h3,5-8,11,13H,4,9-10,12H2,1-2H3