methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N2O4S/c1-30-22-14-19(25-27-21-5-3-4-6-23(21)33-25)13-20-16-28(11-12-32-24(20)22)15-17-7-9-18(10-8-17)26(29)31-2/h3-10,13-14H,11-12,15-16H2,1-2H3