1-[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one Formula: C19H22ClNO2S MolecularWeight: 363.90148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H22ClNO2S/c1-2-16-13-21(12-14-8-9-15(20)11-18(14)23-16)19(22)7-3-5-17-6-4-10-24-17/h4,6,8-11,16H,2-3,5,7,12-13H2,1H3/t16-/m0/s1