2-[2-[(3,4,5-trimethoxyphenyl)methoxy]-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole

Systemtic Name: 2-[2-[(3,4,5-trimethoxyphenyl)methoxy]-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole Openeye Name: 2-[2-[(3,4,5-trimethoxyphenyl)methoxy]-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole CAS Name: 2-[2-[(3,4,5-trimethoxyphenyl)methoxy]-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole IUPAC Name: 2-[2-[(3,4,5-trimethoxyphenyl)methoxy]-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole Traditional Name: 2-[2-(3,4,5-trimethoxybenzyl)oxy-2H-pyrimidin-5-ylidene]-3H-1,3-benzothiazole Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC2N=CC(=C3NC4=CC=CC=C4S3)C=N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC2N=CC(=C3NC4=CC=CC=C4S3)C=N2

InChI

InChI=1S/C21H21N3O4S/c1-25-16-8-13(9-17(26-2)19(16)27-3)12-28-21-22-10-14(11-23-21)20-24-15-6-4-5-7-18(15)29-20/h4-11,21,24H,12H2,1-3H3