[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H17BrN2O3S2 MolecularWeight: 489.40528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17BrN2O3S2/c1-26-17-7-6-13(22)10-15(17)21-23-14(12-28-21)11-27-20(25)9-8-19-24-16-4-2-3-5-18(16)29-19/h2-7,10,12H,8-9,11H2,1H3