ethyl 4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate Traditional Name: 4-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=CS4

InChI

InChI=1S/C22H28N2O4S/c1-3-27-22(25)23-8-6-18(7-9-23)24-10-11-28-21-17(15-24)13-16(14-19(21)26-2)20-5-4-12-29-20/h4-5,12-14,18H,3,6-11,15H2,1-2H3