[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CN3CCCCCC3=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CN3CCCCCC3=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-27-17-9-8-15(11-18(17)26-2)21-22-16(14-29-21)13-28-20(25)12-23-10-6-4-5-7-19(23)24/h8-9,11,14H,3-7,10,12-13H2,1-2H3