[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone

Systemtic Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone Openeye Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiazol-5-yl-methanone CAS Name: [9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-thiazolyl)methanone IUPAC Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone Traditional Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiazol-5-yl-methanone Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CN=CS4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CN=CS4

InChI

InChI=1S/C22H20N2O3S2/c1-3-4-8-26-18-11-16(19-6-5-15(2)29-19)10-17-13-24(7-9-27-21(17)18)22(25)20-12-23-14-28-20/h1,5-6,10-12,14H,4,7-9,13H2,2H3