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

Systemtic Name: methyl 4-[(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Openeye Name: methyl 4-[[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Traditional Name: 4-[[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C23H23NO4S/c1-26-20-13-18(21-4-3-11-29-21)12-19-15-24(9-10-28-22(19)20)14-16-5-7-17(8-6-16)23(25)27-2/h3-8,11-13H,9-10,14-15H2,1-2H3