methyl 1-[[4-(5-ethanoylthiophen-3-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(5-ethanoylthiophen-3-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(5-acetylthiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(5-acetyl-3-thiophenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(5-acetylthiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(5-acetylthiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H28N2O5S/c1-16(27)22-12-20(15-32-22)23(28)26-9-10-31-21-4-3-17(11-19(21)14-26)13-25-7-5-18(6-8-25)24(29)30-2/h3-4,11-12,15,18H,5-10,13-14H2,1-2H3