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

Systemtic Name: 1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 1-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(S3)C

Isomeric SMILES

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(S3)C

InChI

InChI=1S/C18H21NO3S/c1-4-17(20)19-7-8-22-18-14(11-19)9-13(10-15(18)21-3)16-6-5-12(2)23-16/h5-6,9-10H,4,7-8,11H2,1-3H3