1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one

Systemtic Name: 1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CCC=C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CCC=C

InChI

InChI=1S/C20H23NO3S/c1-4-5-6-19(22)21-9-10-24-20-16(13-21)11-15(12-17(20)23-3)18-8-7-14(2)25-18/h4,7-8,11-12H,1,5-6,9-10,13H2,2-3H3